Detailed information for compound 183963

Basic information

Technical information
  • TDR Targets ID: 183963
  • Name: (2R)-2-(benzenesulfonamido)-N-[5-(4-fluorophe nyl)-6H-1,3,4-thiadiazin-2-yl]propanamide
  • MW: 420.481 | Formula: C18H17FN4O3S2
  • H donors: 2 H acceptors: 3 LogP: 3.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](NS(=O)(=O)c1ccccc1)C)NC1=NN=C(CS1)c1ccc(cc1)F
  • InChi: 1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1
  • InChiKey: LEDMBBYIVRLZAS-GFCCVEGCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-N-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-(phenylsulfonylamino)propanamide
  • (2R)-2-(benzenesulfonamido)-N-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]propionamide
  • (2R)-N-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-(phenylsulfonylamino)propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 8 (neutrophil collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 14 (membrane-inserted) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 12 (macrophage elastase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Matrilysin homolog Get druggable targets OG5_129064 All targets in OG5_129064
Echinococcus granulosus matrix metallopeptidase 7 M10 family Get druggable targets OG5_129064 All targets in OG5_129064
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) Get druggable targets OG5_129064 All targets in OG5_129064
Loa Loa (eye worm) matrixin family protein Get druggable targets OG5_129064 All targets in OG5_129064
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129064 All targets in OG5_129064
Brugia malayi Matrixin family protein Get druggable targets OG5_129064 All targets in OG5_129064
Schistosoma japonicum IPR002477,Peptidoglycan-binding domain 1;IPR009070,Peptidoglycan binding-like,domain-containing Get druggable targets OG5_129064 All targets in OG5_129064
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) Get druggable targets OG5_129064 All targets in OG5_129064
Schistosoma japonicum ko:K07996 matrix metalloproteinase-16 (membrane-inserted), putative Get druggable targets OG5_129064 All targets in OG5_129064
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 8 (neutrophil collagenase) 467 aa 467 aa 33.4 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 13 (collagenase 3) 471 aa 448 aa 34.1 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 12 (macrophage elastase) 470 aa 467 aa 32.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0278 0.0278
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1136 0.1136
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2807 0.4941
Plasmodium falciparum thioredoxin reductase 0.0016 0.0009 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Schistosoma mansoni hexokinase 0.0078 0.091 0.2594
Schistosoma mansoni endoplasmin 0.0045 0.0428 0.122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 0.5537
Loa Loa (eye worm) hexokinase 0.0024 0.0126 0.0181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Plasmodium falciparum thioredoxin reductase 0.0046 0.0449 0.1427
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0209 0.0209
Leishmania major C-8 sterol isomerase-like protein 0.0404 0.568 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0309 0.0543
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0009 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Onchocerca volvulus Matrilysin homolog 0.0461 0.6508 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0449 0.1617
Loa Loa (eye worm) hypothetical protein 0.0025 0.0136 0.0194
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0332 0.103
Echinococcus granulosus dna polymerase kappa 0.0038 0.0325 0.0325
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1121 0.3195
Onchocerca volvulus Matrix metalloproteinase homolog 0.0374 0.5237 0.7988
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0009 0.0015
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0325 0.0927
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0325 0.0325
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Brugia malayi jmjC domain containing protein 0.0034 0.0278 0.0397
Schistosoma mansoni chromobox protein 0.0068 0.0768 0.2189
Echinococcus multilocularis hexokinase 0.0078 0.091 0.091
Brugia malayi Bromodomain containing protein 0.0028 0.0191 0.0272
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0325 0.0465
Loa Loa (eye worm) hypothetical protein 0.0049 0.0487 0.0696
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1312 0.4729
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.023 0.3145 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1312 0.4729
Echinococcus multilocularis heat shock protein 90 0.0045 0.0428 0.0428
Mycobacterium leprae PROBABLE HYDROLASE 0.0205 0.2774 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0015
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.023 0.3145 0.3145
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0079 0.0937 0.2961
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0071 0.0819 0.1442
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0486 0.0694
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0278 0.0278
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2807 0.4941
Loa Loa (eye worm) heat shock protein 75 0.003 0.0209 0.0299
Plasmodium falciparum heat shock protein 90 0.0045 0.0428 0.136
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.1484 0.5347
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0374 0.1165
Schistosoma mansoni hypothetical protein 0.0239 0.3267 0.931
Mycobacterium ulcerans hydrolase 0.0205 0.2774 0.8819
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0009 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0155 0.0271
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0009
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0079 0.0937 0.1339
Plasmodium falciparum hexokinase 0.0078 0.091 0.2893
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.023 0.3145 1
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Brugia malayi Matrixin family protein 0.0168 0.2238 0.3196
Schistosoma mansoni endoplasmin 0.0045 0.0428 0.122
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.023 0.3145 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0388 0.121
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0486 0.0694
Plasmodium vivax hexokinase, putative 0.0078 0.091 0.2893
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0255 0.3509 1
Onchocerca volvulus 0.0168 0.2238 0.324
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0151 0.1983 0.6295
Brugia malayi Hexokinase family protein 0.0024 0.0126 0.0181
Echinococcus multilocularis hexokinase 0.0078 0.091 0.091
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0009 0.0027
Plasmodium vivax heat shock protein 90, putative 0.003 0.0209 0.0663
Leishmania major hexokinase, putative 0.0078 0.091 0.1602
Brugia malayi Hexokinase family protein 0.0049 0.0487 0.0696
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0325 0.1009
Loa Loa (eye worm) hypothetical protein 0.0033 0.0261 0.0373
Toxoplasma gondii Hsp90 domain-containing protein 0.0169 0.225 0.7153
Plasmodium vivax glutathione reductase, putative 0.0046 0.0449 0.1427
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0062 0.0683 0.246
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0449 0.079
Treponema pallidum hexokinase (hxk) 0.0078 0.091 0.2874
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0155 0.0271
Brugia malayi Isocitrate dehydrogenase 0.0015 0 0.0001
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0009 0.0027
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.023 0.3145 0.5537
Echinococcus multilocularis hexokinase 0.0078 0.091 0.091
Trypanosoma brucei unspecified product 0.0038 0.0325 0.0572
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.023 0.3145 0.8962
Brugia malayi Endoplasmin precursor 0.0045 0.0428 0.0612
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0025
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.023 0.3145 1
Brugia malayi Hsp90 protein 0.003 0.0209 0.0299
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.023 0.3145 0.8962
Echinococcus granulosus hexokinase 0.0078 0.091 0.091
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0009 0.0015
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0071 0.0819 0.1442
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0159 0.2101 0.3001
Toxoplasma gondii hexokinase 0.0078 0.091 0.2893
Loa Loa (eye worm) heat shock protein 90 0.0045 0.0428 0.0612
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.023 0.3145 0.4492
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0332 0.0223
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0428 0.1337
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0325 0.0465
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.1121 0.3107
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0325 0.1009
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0155 0.0466
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0191 0.0605
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0032 0.0242 0.0242
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0062 0.0683 0.1236
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1121 0.1974
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0388 0.121
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0388 0.121
Echinococcus granulosus heat shock protein 0.0045 0.0428 0.0428
Echinococcus multilocularis geminin 0.0165 0.219 0.219
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.023 0.3145 0.5537
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0159 0.2101 0.3001
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.1121 0.1121
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.023 0.3145 0.3145
Schistosoma mansoni hypothetical protein 0.0165 0.219 0.624
Brugia malayi jmjC domain containing protein 0.0093 0.1136 0.1622
Brugia malayi glutathione reductase 0.0046 0.0449 0.0641
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0325 0.0572
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.1484 0.4591
Brugia malayi Matrixin family protein 0.0168 0.2238 0.3196
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 1
Brugia malayi Matrixin family protein 0.0168 0.2238 0.3196
Loa Loa (eye worm) hypothetical protein 0.0168 0.2238 0.3196
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0169 0.0512
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.1121 0.1121
Onchocerca volvulus 0.0295 0.4082 0.6159
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.023 0.3145 0.5537
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.023 0.3145 0.5537
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0334 0.0334
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Trypanosoma brucei beta lactamase 0.0062 0.0683 0.1202
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Echinococcus granulosus dna polymerase eta 0.0062 0.0688 0.0688
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0428 0.0753
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0428 0.0753
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Loa Loa (eye worm) hexokinase type II 0.0078 0.091 0.13
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1476 0.2109
Trypanosoma brucei unspecified product 0.0026 0.0155 0.0271
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0009 0.0027
Trypanosoma cruzi hexokinase, putative 0.0078 0.091 0.1602
Echinococcus granulosus geminin 0.0165 0.219 0.219
Loa Loa (eye worm) endoplasmin 0.0045 0.0428 0.0612
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0325 0.1009
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0009 0.0015
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.0124 0.0369
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0325 0.0572
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.1237 0.3526
Brugia malayi heat shock protein 90 0.0045 0.0428 0.0612
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0325 0.1009
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Plasmodium falciparum endoplasmin, putative 0.0032 0.0249 0.0791
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0428 0.0746
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0374 0.029
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0768 0.1097
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0353 0.0353
Entamoeba histolytica hexokinase 2 0.0078 0.091 0.2388
Echinococcus granulosus chromobox protein 1 0.0068 0.0768 0.0768
Loa Loa (eye worm) hypothetical protein 0.0295 0.4082 0.583
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0334 0.0587
Echinococcus multilocularis hexokinase type 2 0.0078 0.091 0.091
Loa Loa (eye worm) hypothetical protein 0.0049 0.0486 0.0694
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0124 0.0369
Echinococcus multilocularis heat shock protein 90 0.0038 0.0334 0.0334
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0428 0.0753
Loa Loa (eye worm) hypothetical protein 0.0062 0.0688 0.0983
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0071 0.0819 0.117
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0325 0.0396
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.0428 0.1337
Schistosoma mansoni heat shock protein 0.0045 0.0428 0.122
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0155 0.0491
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.1121 0.1602
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0404 0.568 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0332 0.103
Schistosoma mansoni hypothetical protein 0.0165 0.219 0.624
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0124 0.0218
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0009 0.0015
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.023 0.3145 0.5537
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0209 0.0209
Trypanosoma cruzi hexokinase, putative 0.0078 0.091 0.1602
Loa Loa (eye worm) hexokinase 0.0078 0.091 0.13
Trypanosoma brucei unspecified product 0.0026 0.0155 0.0271
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0428 0.0746
Brugia malayi hexokinase 0.0078 0.091 0.13
Trypanosoma brucei hexokinase 0.0078 0.091 0.1602
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0191 0.0605
Echinococcus granulosus hexokinase 0.0078 0.091 0.091
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0009
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0388 0.121
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0124 0.0369
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 0.5537
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0249 0.0766
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0151 0.1983 0.1983
Trypanosoma brucei DNA polymerase eta, putative 0.0062 0.0688 0.1211
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Onchocerca volvulus 0.0078 0.091 0.1139
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0009 0.003
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0325 0.0927
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0124 0.0447
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.1121 0.1602
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0049 0.0085
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.023 0.3145 0.5537
Onchocerca volvulus 0.0078 0.091 0.1139
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0129 0.1666 0.5285
Loa Loa (eye worm) hypothetical protein 0.0206 0.2793 0.399
Leishmania major hexokinase, putative 0.0078 0.091 0.1602
Plasmodium falciparum glutathione reductase 0.0016 0.0009 0.0027
Schistosoma mansoni hypothetical protein 0.0028 0.0191 0.0543
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0278 0.0792
Plasmodium falciparum phd finger protein, putative 0.0028 0.0191 0.0605
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0191 0.0272
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Plasmodium falciparum glutathione reductase 0.0046 0.0449 0.1427
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.008 0.0939 0.2309
Loa Loa (eye worm) hypothetical protein 0.003 0.0212 0.0302
Onchocerca volvulus 0.0078 0.091 0.1139
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma brucei heat shock protein 84, putative 0.003 0.0209 0.0367
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Loa Loa (eye worm) hypothetical protein 0.0053 0.0549 0.0785
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.0428 0.0753
Toxoplasma gondii heat shock protein HSP90 0.0045 0.0428 0.136
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1312 0.4729
Giardia lamblia Kinase, PLK 0.0092 0.1121 0.3547
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.023 0.3145 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1476 0.2109
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0155 0.0271
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.023 0.3145 0.5537
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0261 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0442 0.138
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0699 1 1
Trypanosoma brucei hexokinase 0.0078 0.091 0.1602
Toxoplasma gondii thioredoxin reductase 0.0046 0.0449 0.1427
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.023 0.3145 0.5537
Giardia lamblia PHD finger protein 15 0.0028 0.0191 0.058
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0124 0.0124
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0169 0.0512
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.1121 0.1974
Echinococcus multilocularis dna polymerase eta 0.0062 0.0688 0.0688
Echinococcus granulosus chromobox protein 1 0.0068 0.0768 0.0768
Brugia malayi Matrixin family protein 0.0168 0.2238 0.3196
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0325 0.0325
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.023 0.3145 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0353 0.0353
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.1121 0.1473
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0151 0.1983 0.6295
Giardia lamblia DINP protein human, muc B family 0.0038 0.0325 0.1009
Brugia malayi Thioredoxin reductase 0.0046 0.0449 0.0641
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 0.5537
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0404 0.568 0.8113
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0009 0.0015
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.0428 0.0753
Echinococcus multilocularis peregrin 0.0038 0.0326 0.0326
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma cruzi DNA polymerase eta, putative 0.0062 0.0688 0.1211
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0428 0.0753
Brugia malayi MH2 domain containing protein 0.0116 0.1476 0.2109
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.0428 0.136
Schistosoma mansoni DNA polymerase eta 0.0062 0.0688 0.1961
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1121 0.1974
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0 0.0001
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0334 0.1037
Loa Loa (eye worm) glutathione reductase 0.0046 0.0449 0.0641
Echinococcus granulosus hexokinase type 2 0.0078 0.091 0.091
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0151 0.1983 0.2832
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0325 0.1171
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.0428 0.0753
Schistosoma mansoni kinase 0.0047 0.0459 0.1309
Giardia lamblia Heat shock protein HSP 90-alpha 0.0038 0.0334 0.1037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0486 0.0694
Echinococcus multilocularis chromobox protein 1 0.0068 0.0768 0.0768
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0009 0.0015
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0205 0.2774 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.023 0.3145 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0856 0.244
Schistosoma mansoni hypothetical protein 0.0033 0.0261 0.0743
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.023 0.3145 1
Echinococcus granulosus hexokinase 0.0078 0.091 0.091
Plasmodium vivax heat shock protein, putative 0.0169 0.225 0.7153
Loa Loa (eye worm) hypothetical protein 0.0168 0.2238 0.3196
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0768 0.2421
Mycobacterium tuberculosis Probable reductase 0.0105 0.1312 0.4729
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Mycobacterium tuberculosis Conserved protein 0.0024 0.0124 0.0447
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Trypanosoma brucei hexokinase, putative 0.0078 0.091 0.1602
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0071 0.0819 0.1442
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0278 0.0792
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0209 0.0663
Trypanosoma cruzi heat shock protein, putative 0.003 0.0209 0.0367
Schistosoma mansoni heat shock protein 0.003 0.0209 0.0596
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Brugia malayi isocitrate dehydrogenase 0.0015 0 0.0001
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.023 0.3145 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.1312 0.3872
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0334 0.0587
Mycobacterium ulcerans hypothetical protein 0.0024 0.0124 0.0369
Brugia malayi Heterochromatin protein 1 0.0068 0.0768 0.1097
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Echinococcus multilocularis chromobox protein 1 0.0068 0.0768 0.0768
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0325 0.0572
Treponema pallidum heat shock protein 90 0.0042 0.0388 0.121
Schistosoma mansoni chromobox protein 0.0068 0.0768 0.2189
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.023 0.3145 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0449 0.0449
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Echinococcus multilocularis endoplasmin 0.0042 0.0388 0.0388
Onchocerca volvulus Matrilysin homolog 0.0168 0.2238 0.324
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0191 0.0543
Brugia malayi Hexokinase family protein 0.0078 0.091 0.13
Loa Loa (eye worm) hypothetical protein 0.0028 0.0191 0.0272
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0009 0.0027
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0071 0.0819 0.1442
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0129 0.1666 0.6005
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0009 0.0012
Leishmania major DNA polymerase eta, putative 0.0062 0.0688 0.1211
Loa Loa (eye worm) hypothetical protein 0.0151 0.1983 0.2832
Onchocerca volvulus 0.0239 0.3267 0.4869
Trypanosoma brucei C-8 sterol isomerase, putative 0.0404 0.568 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0151 0.1981 0.3488
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Brugia malayi hypothetical protein 0.0295 0.4082 0.583
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0768 0.2421
Leishmania major DNA polymerase eta, putative 0.0036 0.0309 0.0543
Leishmania major trypanothione reductase 0.0046 0.0449 0.079
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0071 0.0819 0.1442
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0388 0.0683
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0374 0.1165
Mycobacterium ulcerans hypothetical protein 0.0024 0.0124 0.0369
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0124 0.0218
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0151 0.1983 0.1983
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0442 0.138
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0124 0.0124
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0325 0.0572
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Loa Loa (eye worm) hypothetical protein 0.0404 0.568 0.8113
Brugia malayi Matrixin family protein 0.0494 0.7001 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.023 0.3145 0.3145
Schistosoma mansoni SET domain protein 0.0032 0.0242 0.069
Brugia malayi ImpB/MucB/SamB family protein 0.0062 0.0688 0.0983
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0124 0.0218
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0633 0.0904
Loa Loa (eye worm) matrix metalloproteinase 0.0168 0.2238 0.3196
Plasmodium vivax endoplasmin, putative 0.0045 0.0428 0.136
Plasmodium falciparum heat shock protein 90, putative 0.0169 0.225 0.7153
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0428 0.0753
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0388 0.1397
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0032 0.0242 0.0242
Echinococcus granulosus heat shock protein 90 0.0038 0.0334 0.0334
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.2807 0.4941
Giardia lamblia Grp94/Hsp90 0.0042 0.0388 0.121
Entamoeba histolytica hexokinase 1 0.0078 0.091 0.2388
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.1484 0.5347
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0009 0.0027
Trypanosoma brucei polo-like protein kinase 0.0092 0.1121 0.1974
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Leishmania major heat shock protein 83-1 0.0045 0.0428 0.0753
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.023 0.3145 0.3145
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.1484 0.5347
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.008 0.0939 0.3384
Leishmania major DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Loa Loa (eye worm) hypothetical protein 0.0255 0.3509 0.5013
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0009 0.0015
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.023 0.3145 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.023 0.3145 1
Mycobacterium ulcerans lipoprotein LpqF 0.0062 0.0683 0.215
Trichomonas vaginalis endoplasmin, putative 0.0032 0.0249 0.0766
Echinococcus multilocularis heat shock protein 0.0045 0.0428 0.0428
Brugia malayi Hemopexin family protein 0.0239 0.3267 0.4666
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1312 0.4729
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1136 0.1136
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.0209 0.0029
Leishmania major hypothetical protein, conserved 0.0207 0.2807 0.4941
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Echinococcus granulosus heat shock protein 90 0.0045 0.0428 0.0428
Loa Loa (eye worm) matrixin family protein 0.0494 0.7001 1
Loa Loa (eye worm) hexokinase 0.0049 0.0487 0.0696
Brugia malayi chromobox protein homolog 3 0.0038 0.0332 0.0474
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 0.5537
Schistosoma mansoni heat shock protein 0.0045 0.0428 0.122
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0278 0.0397
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0325 0.1171
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0191 0.0191
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0449 0.1427
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 1
Plasmodium vivax heat shock protein 86, putative 0.0045 0.0428 0.136
Onchocerca volvulus 0.003 0.0212 0.0033
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.023 0.3145 0.8962
Trypanosoma brucei heat shock protein, putative 0.0045 0.0428 0.0753
Echinococcus granulosus endoplasmin 0.0042 0.0388 0.0388
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0151 0.1983 0.2832
Trypanosoma brucei trypanothione reductase 0.0046 0.0449 0.079
Loa Loa (eye worm) hypothetical protein 0.0025 0.0136 0.0194
Loa Loa (eye worm) hypothetical protein 0.0038 0.0332 0.0474
Onchocerca volvulus Hexokinase homolog 0.0049 0.0487 0.0469
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0449 0.0449
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0309 0.0981
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0151 0.1981 0.6289
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0 0.0001
Brugia malayi hexokinase type II 0.0025 0.0136 0.0194
Echinococcus granulosus peregrin 0.0038 0.0326 0.0326
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0191 0.0605
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0205 0.2774 0.3963
Leishmania major heat shock protein, putative 0.003 0.0209 0.0367
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0151 0.1981 0.3488
Onchocerca volvulus 0.0049 0.0487 0.0469
Brugia malayi PHD-finger family protein 0.0028 0.0191 0.0272
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0191 0.0191
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.023 0.3145 0.8962
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0009 0.0015
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0325 0.0325
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0325 0.0572
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0124 0.0369
Loa Loa (eye worm) matrixin family protein 0.0374 0.5237 0.7481
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.023 0.3145 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.2774 0.3963
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0449 0.0641
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1121 0.3547
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0151 0.1981 0.3488
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1312 0.4729
Loa Loa (eye worm) hexokinase 0.0078 0.091 0.13
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0151 0.1981 0.3488

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.46 Inhibition of MMP12 (unknown origin) ChEMBL. 17275314
Ki (binding) = 0.05 uM In vitro inhibition of human matrix metalloproteinase-9 ChEMBL. 11563922
Ki (binding) = 0.05 uM In vitro inhibition of human matrix metalloproteinase-9 ChEMBL. 11563922
Ki (binding) = 0.3 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-13 ChEMBL. 11563922
Ki (binding) = 0.3 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-13 ChEMBL. 11563922
Ki (binding) = 0.33 uM In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.33 uM In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.34 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-2 ChEMBL. 11563922
Ki (binding) = 0.34 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-2 ChEMBL. 11563922
Ki (binding) = 0.35 uM Inhibitory activity against matrix metalloproteinase-8 ChEMBL. 11563922
Ki (binding) = 0.35 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-12 ChEMBL. 11563922
Ki (binding) = 0.35 uM Inhibitory activity against matrix metalloproteinase-8 ChEMBL. 11563922
Ki (binding) = 0.35 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-12 ChEMBL. 11563922
Ki (binding) = 0.39 uM In vitro inhibitory activity against the catalytic domain of human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.39 uM In vitro inhibitory activity against the catalytic domain of human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.63 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-1 ChEMBL. 11563922
Ki (binding) = 0.63 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-1 ChEMBL. 11563922
log(1/Ki) (binding) = 6.46 Inhibition of MMP12 (unknown origin) ChEMBL. 17275314

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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