Detailed information for compound 976433

Basic information

Technical information
  • TDR Targets ID: 976433
  • Name: 2-[[2-(hydroxyamino)-2-oxoethyl]-[4-(phenoxy) phenyl]sulfonylamino]acetic acid
  • MW: 380.372 | Formula: C16H16N2O7S
  • H donors: 3 H acceptors: 6 LogP: 1.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)CC(=O)O
  • InChi: 1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
  • InChiKey: ZRAUMSIZBNBIFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(hydroxyamino)-2-oxo-ethyl]-[4-(phenoxy)phenyl]sulfonyl-amino]acetic acid
  • 2-[[2-(hydroxyamino)-2-keto-ethyl]-[4-(phenoxy)phenyl]sulfonyl-amino]acetic acid
  • 2-[[2-(hydroxyamino)-2-oxo-ethyl]-[4-(phenoxy)phenyl]sulfonyl-amino]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 14 (membrane-inserted) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 13 (collagenase 3) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 8 (neutrophil collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 16 (membrane-inserted) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07996 matrix metalloproteinase-16 (membrane-inserted), putative 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
Schistosoma japonicum IPR002477,Peptidoglycan-binding domain 1;IPR009070,Peptidoglycan binding-like,domain-containing Get druggable targets OG5_129064 All targets in OG5_129064
Onchocerca volvulus Matrilysin homolog 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
Schistosoma mansoni 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
Brugia malayi Matrixin family protein 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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.007 0.0103
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.005 0.0075
Plasmodium falciparum glutathione reductase 0.0046 0.0278 0.5558
Trypanosoma cruzi thymidine kinase, putative 0.0488 0.3885 1
Trypanosoma cruzi ribonuclease H1, putative 0.0087 0.0608 0.1497
Mycobacterium leprae PROBABLE HYDROLASE 0.0199 0.1522 1
Mycobacterium ulcerans thymidylate kinase 0.007 0.0475 0.2977
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0134 0.2031
Toxoplasma gondii exonuclease III APE 0.0018 0.005 0.0612
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0768 0.0739
Brugia malayi Matrixin family protein 0.0568 0.4538 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0857 0.5543
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0031 0.0044
Trypanosoma cruzi thymidine kinase, putative 0.0488 0.3885 1
Schistosoma mansoni phosphoglucomutase 0.0087 0.0608 0.0579
Trypanosoma brucei unspecified product 0.0097 0.0693 0.1717
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0768 0.1912
Toxoplasma gondii ribonuclease HI protein 0.0087 0.0608 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1231 0.2713
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0761 0.4899
Brugia malayi RNase H family protein 0.0087 0.0608 0.131
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.0768 0.1241
Onchocerca volvulus Matrilysin homolog 0.0163 0.1231 0.2685
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0134 0.2335
Onchocerca volvulus Ribonuclease H1 homolog 0.0087 0.0608 0.1185
Trypanosoma brucei ingi protein (ORF1) 0.0097 0.0693 0.1717
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.0761 0.2736
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.005 0.005
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0115 0.0254
Loa Loa (eye worm) phosphofructokinase 0.0106 0.0768 0.1692
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0278 0.5709
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0475 0.1151
Loa Loa (eye worm) matrix metalloproteinase 0.0163 0.1231 0.2713
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.0768 0.4943
Brugia malayi RNase H family protein 0.0087 0.0608 0.131
Schistosoma mansoni hypothetical protein 0.0166 0.1253 0.1226
Leishmania major hypothetical protein, conserved 0.0028 0.0126 0.0246
Entamoeba histolytica Thymidylate kinase, putative 0.007 0.0475 0.1107
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0768 0.1912
Loa Loa (eye worm) hypothetical protein 0.0026 0.0115 0.0254
Echinococcus granulosus ribonuclease H1 0.0087 0.0608 0.0981
Schistosoma mansoni intermediate filament proteins 0.0026 0.0115 0.0085
Trichomonas vaginalis thymidylate kinase, putative 0.007 0.0475 0.1151
Brugia malayi RNase H family protein 0.0087 0.0608 0.131
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0031 0.0034
Leishmania major trypanothione reductase 0.0046 0.0278 0.064
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0134 0.2335
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0009
Trypanosoma cruzi ribonuclease H1, putative 0.0087 0.0608 0.1497
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0768 0.1912
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0035 0.0004
Loa Loa (eye worm) matrixin family protein 0.0362 0.2853 0.6286
Echinococcus multilocularis musashi 0.0026 0.0115 0.0181
Trichomonas vaginalis ribonuclease H1, putative 0.0087 0.0608 0.1497
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0761 0.4899
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.0768 0.1241
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0857 0.3654
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.005 0.0111
Toxoplasma gondii thioredoxin reductase 0.0046 0.0278 0.444
Echinococcus granulosus bloom syndrome protein 0.0021 0.007 0.0108
Schistosoma mansoni hypothetical protein 0.046 0.3656 0.3636
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0087 0.0608 1
Echinococcus multilocularis bloom syndrome protein 0.0021 0.007 0.0108
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0278 0.064
Brugia malayi phosphofructokinase 0.0106 0.0768 0.1664
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0767 0.616 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.005 0.005
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0134 0.2335
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.0768 0.0739
Schistosoma mansoni phosphoglucomutase 0.0087 0.0608 0.0579
Schistosoma mansoni ap endonuclease 0.0018 0.005 0.0019
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0134 0.0269
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.0768 1
Leishmania major thymidine kinase, putative 0.0488 0.3885 1
Onchocerca volvulus 0.0231 0.1788 0.4024
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0768 0.1871
Brugia malayi Matrixin family protein 0.0163 0.1231 0.2689
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0031 0.0286
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0761 0.4899
Loa Loa (eye worm) RecQ helicase 0.0021 0.007 0.0155
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.3885 1
Brugia malayi 6-phosphofructokinase 0.0106 0.0768 0.1664
Loa Loa (eye worm) thymidylate kinase 0.007 0.0475 0.1046
Trypanosoma brucei hypothetical protein, conserved 0.0097 0.0693 0.1717
Brugia malayi Hemopexin family protein 0.0231 0.1788 0.3919
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0475 0.1151
Brugia malayi Thioredoxin reductase 0.0046 0.0278 0.058
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.005 0.013
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.3885 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0768 0.1692
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0015 0.0034
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0134 0.2596
Plasmodium vivax thymidylate kinase, putative 0.007 0.0475 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0857 0.5543
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0031 0.0044
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.005 0.0335
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0028 0.0126 0.0246
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0225 0.1736 0.1711
Brugia malayi follicle stimulating hormone receptor 0.0228 0.1762 0.3861
Plasmodium vivax glutathione reductase, putative 0.0046 0.0278 0.5709
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0278 0.0444
Brugia malayi glutathione reductase 0.0046 0.0278 0.058
Leishmania major ATP-dependent phosphofructokinase 0.0106 0.0768 0.1912
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0079
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0768 0.1871
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0768 0.1912
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.007 0.0475 0.2977
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.005 0.0075
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0475 0.1151
Echinococcus multilocularis lamin 0.0026 0.0115 0.0181
Schistosoma mansoni thymidylate kinase 0.007 0.0475 0.0445
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0115 0.0221
Echinococcus multilocularis geminin 0.0166 0.1253 0.2029
Giardia lamblia Ribonuclease H 0.0087 0.0608 0.1497
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0761 0.4899
Echinococcus granulosus lamin dm0 0.0026 0.0115 0.0181
Echinococcus multilocularis ribonuclease H1 0.0087 0.0608 0.0981
Loa Loa (eye worm) hypothetical protein 0.0199 0.1522 0.3353
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.007 0.0122
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.005 0.0077
Echinococcus granulosus thymidylate kinase 0.007 0.0475 0.0765
Brugia malayi thymidylate kinase 0.007 0.0475 0.1015
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0767 0.616 1
Loa Loa (eye worm) hypothetical protein 0.0337 0.2651 0.584
Brugia malayi Matrixin family protein 0.0163 0.1231 0.2689
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.007 0.0103
Treponema pallidum thymidylate kinase (tmk) 0.007 0.0475 0.6022
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0857 0.5543
Plasmodium falciparum thioredoxin reductase 0.0046 0.0278 0.5558
Chlamydia trachomatis thymidylate kinase 0.007 0.0475 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0278 0.064
Onchocerca volvulus Putative thymidylate kinase 0.007 0.0475 0.0864
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0031 0.034
Giardia lamblia CDC8 0.007 0.0475 0.1151
Toxoplasma gondii thymidylate kinase 0.007 0.0475 0.7759
Schistosoma mansoni lamin 0.0026 0.0115 0.0085
Loa Loa (eye worm) hypothetical protein 0.0163 0.1231 0.2713
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0199 0.1522 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0134 0.022
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0278 0.0611
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0337 0.2651 0.2628
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.005 0.0436
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.005 0.005
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0134 0.1406
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0134 0.2031
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0166 0.1253 0.1226
Plasmodium falciparum thymidylate kinase 0.007 0.0475 1
Schistosoma mansoni phosphoglucomutase 0.0087 0.0608 0.0579
Leishmania major ribonuclease H1, putative 0.0087 0.0608 0.1497
Loa Loa (eye worm) hypothetical protein 0.0026 0.0111 0.0245
Trypanosoma brucei thymidine kinase 0.0488 0.3885 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0134 0.2596
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.005 0.005
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.005 0.0425
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0278 0.1655
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.0768 0.1912
Trichomonas vaginalis thymidine kinase, putative 0.0488 0.3885 1
Treponema pallidum ribonuclease H (rnhA) 0.0087 0.0608 0.7828
Schistosoma mansoni ap endonuclease 0.0018 0.005 0.0019
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.0768 0.1692
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0031 0.0286
Entamoeba histolytica phosphofructokinase, putative 0.0106 0.0768 0.1871
Schistosoma mansoni hypothetical protein 0.0231 0.1788 0.1762
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0134 0.0269
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.1762 0.3882
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.005 0.013
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.005 0.0262
Brugia malayi 6-phosphofructokinase 0.0106 0.0768 0.1664
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Trypanosoma cruzi thymidylate kinase, putative 0.007 0.0475 0.1151
Giardia lamblia Thymidine kinase 0.0488 0.3885 1
Mycobacterium ulcerans hydrolase 0.0199 0.1522 1
Mycobacterium tuberculosis Probable reductase 0.0106 0.0761 0.4899
Leishmania major thymidylate kinase-like protein 0.007 0.0475 0.1151
Trypanosoma brucei ribonuclease H1 0.0087 0.0608 0.1497
Echinococcus multilocularis lamin dm0 0.0026 0.0115 0.0181
Schistosoma mansoni lamin 0.0026 0.0115 0.0085
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0134 0.0269
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0761 0.4899
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0278 0.0444
Loa Loa (eye worm) matrixin family protein 0.0568 0.4538 1
Brugia malayi intermediate filament protein 0.0026 0.0115 0.0221
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0106 0.0768 0.1912
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.005 0.005
Brugia malayi Matrixin family protein 0.0163 0.1231 0.2689
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0028 0.0126 0.0246
Echinococcus granulosus intermediate filament protein 0.0026 0.0115 0.0181
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0115 0.0254
Echinococcus granulosus lamin 0.0026 0.0115 0.0181
Trypanosoma brucei RNA helicase, putative 0.046 0.3656 0.9405
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.007 0.0475 0.7693
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.0768 0.4943
Trypanosoma brucei ingi protein (ORF1) 0.0097 0.0693 0.1717
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.0768 0.28
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0097 0.0693 0.1717
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0199 0.1522 0.333
Echinococcus multilocularis thymidylate kinase 0.007 0.0475 0.0765
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0134 0.2031
Schistosoma mansoni thymidylate kinase 0.007 0.0475 0.0445
Loa Loa (eye worm) glutathione reductase 0.0046 0.0278 0.0611
Echinococcus granulosus geminin 0.0166 0.1253 0.2029
Entamoeba histolytica thymidine kinase, putative 0.0488 0.3885 1
Schistosoma mansoni hypothetical protein 0.007 0.0475 0.0445
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.005 0.005
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0134 0.2335
Onchocerca volvulus 0.0163 0.1231 0.2685
Brugia malayi Matrixin family protein 0.0163 0.1231 0.2689
Onchocerca volvulus Matrix metalloproteinase homolog 0.0362 0.2853 0.6586
Onchocerca volvulus Matrilysin homolog 0.0536 0.4272 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.005 0.0761
Trypanosoma brucei thymidylate kinase, putative 0.007 0.0475 0.1151
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.0716 0.0687
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0031 0.034

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.2 nM Inhibition of human recombinant MMP2 transfected in mouse melanoma cells ChEMBL. 19053764
IC50 (binding) = 1.6 nM Inhibition of MMP13 ChEMBL. 19053764
IC50 (binding) = 3.2 nM Inhibition of MMP9 ChEMBL. 19053764
IC50 (binding) = 3.7 nM Inhibition of MMP8 ChEMBL. 19053764
IC50 (binding) = 11.4 nM Inhibition of MMP16 ChEMBL. 19053764
IC50 (binding) = 14 nM Inhibition of MMP14 ChEMBL. 19053764
IC50 (binding) = 1530 nM Inhibition of MMP1 ChEMBL. 19053764
IC50 (binding) = 46 uM Inhibition of Pseudomonas aeruginosa pseudolysin using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys-(Dnp)-OH as substrate after 1 hr by fluorescence assay in presence of Brij-35 ChEMBL. 25462250
IC50 (binding) > 186 uM Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins ChEMBL. 25462250

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

1 literature reference was collected for this gene.

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