Detailed information for compound 182243

Basic information

Technical information
  • TDR Targets ID: 182243
  • Name: (2S)-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-/m0/s1
  • InChiKey: LEDMBBYIVRLZAS-LBPRGKRZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-N-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-(phenylsulfonylamino)propanamide
  • (2S)-2-(benzenesulfonamido)-N-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]propionamide
  • (2S)-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 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
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 8 (neutrophil collagenase) 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
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 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 8 (neutrophil collagenase) 467 aa 467 aa 33.4 %
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.55 Inhibition of MMP12 (unknown origin) ChEMBL. 17275314
Ki (binding) = 0.16 uM In vitro inhibition of human matrix metalloproteinase-9 ChEMBL. 11563922
Ki (binding) = 0.16 uM In vitro inhibition of human matrix metalloproteinase-9 ChEMBL. 11563922
Ki (binding) = 0.19 uM Inhibitory activity against matrix metalloproteinase-8 ChEMBL. 11563922
Ki (binding) = 0.19 uM Inhibitory activity against matrix metalloproteinase-8 ChEMBL. 11563922
Ki (binding) = 0.28 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-12 ChEMBL. 11563922
Ki (binding) = 0.28 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-12 ChEMBL. 11563922
Ki (binding) = 0.44 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-1 ChEMBL. 11563922
Ki (binding) = 0.44 uM In vitro inhibitory activity against the catalytic domain of human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.44 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-1 ChEMBL. 11563922
Ki (binding) = 0.44 uM In vitro inhibitory activity against the catalytic domain of human matrix metalloproteinase-14 ChEMBL. 11563922
Ki (binding) = 0.45 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-2 ChEMBL. 11563922
Ki (binding) = 0.45 uM In vitro inhibitory activity against the catalytic domain of the human matrix metalloproteinase-2 ChEMBL. 11563922
Ki (binding) = 0.65 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-13 ChEMBL. 11563922
Ki (binding) = 0.65 uM In Vitro inhibitory activity against the catalytic domain of the matrix metalloproteinase-13 ChEMBL. 11563922
log(1/Ki) (binding) = 6.55 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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