Detailed information for compound 159542

Basic information

Technical information
  • TDR Targets ID: 159542
  • Name: N-hydroxy-1-(2-methoxyacetyl)-4-(4-methoxyphe nyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepin e-3-carboxamide
  • MW: 449.478 | Formula: C20H23N3O7S
  • H donors: 2 H acceptors: 5 LogP: 0.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)N1CC(C(=O)NO)N(Cc2c1cccc2)S(=O)(=O)c1ccc(cc1)OC
  • InChi: 1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)
  • InChiKey: PLYLMXDSDZFWLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2-methoxyacetyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid
  • 1-(2-methoxy-1-oxoethyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid
  • N-hydroxy-1-(2-methoxyethanoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide

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 1 (interstitial collagenase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) Starlite/ChEMBL References
Homo sapiens ADAM metallopeptidase domain 17 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus multilocularis adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Schistosoma japonicum ko:K06059 a disintegrin and metalloproteinase domain 17, putative Get druggable targets OG5_132656 All targets in OG5_132656
Schistosoma mansoni ADAM17 peptidase (M12 family) Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus Blood coagulation inhibitor Disintegrin Get druggable targets OG5_132656 All targets in OG5_132656
Echinococcus granulosus adam 17 protease Get druggable targets OG5_132656 All targets in OG5_132656
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132656 All targets in OG5_132656
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 %
Brugia malayi Disintegrin family protein ADAM metallopeptidase domain 17 824 aa 724 aa 27.4 %
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
Loa Loa (eye worm) phosphatidylinositol 3 0.1366 0.0799 1
Entamoeba histolytica hypothetical protein 0.0988 0.0559 0.6884
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9567
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.052 0.0263 0.2957
Trypanosoma cruzi hypothetical protein, conserved 0.5539 0.3442 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0407 0.0191 0.134
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1128 0.0648 0.1656
Leishmania major phosphatidylinositol 3-kinase, putative 0.0379 0.0174 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Brugia malayi Cytochrome P450 family protein 0.0134 0.0018 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.1249 0.0724 0.9375
Loa Loa (eye worm) hypothetical protein 0.053 0.0269 0.3216
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0267 0.0102 0.0102
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0379 0.0174 0.11
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1294 0.0753 0.9808
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1128 0.0648 0.8224
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0735 0.0399 0.0399
Toxoplasma gondii FATC domain-containing protein 0.0751 0.0409 0.4734
Toxoplasma gondii target of rapamycin (TOR), putative 0.1289 0.075 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0735 0.0399 0.5022
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1314 0.0766 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0379 0.0174 0.1993
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1506 0.0888 0.0888
Loa Loa (eye worm) hypothetical protein 0.0484 0.024 0.2841
Onchocerca volvulus 0.0267 0.0102 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0267 0.0102 0.0102
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0988 0.0559 0.6884
Leishmania major phosphatidylinositol kinase related protein, putative 0.0299 0.0123 0.0058
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0913 0.0512 0.617
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0379 0.0174 1
Echinococcus multilocularis serine protein kinase ATM 0.0751 0.0409 0.0409
Trichomonas vaginalis PIKK family atypical protein kinase 0.1314 0.0766 1
Loa Loa (eye worm) hypothetical protein 0.0468 0.023 0.2716
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9567
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0797 0.0438 0.5186
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0223 0.0075 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.1314 0.0766 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0267 0.0102 0.1081
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0379 0.0174 0.0203
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0379 0.0174 0.1073
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1506 0.0888 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0379 0.0174 0.1073
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9567
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0379 0.0174 0.0239
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0594 0.031 0.3128
Schistosoma mansoni hypothetical protein 0.0267 0.0102 0.1154
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.053 0.0269 0.0269
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0379 0.0174 0.1073
Trichomonas vaginalis PIKK family atypical protein kinase 0.1274 0.074 0.9616
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0378 0.0173 0.2177
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1314 0.0766 0.1891
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0735 0.0399 0.0399
Schistosoma mansoni hypothetical protein 0.053 0.0269 0.3031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0452 0.0219 0.1764
Echinococcus multilocularis adam 17 protease 0.0223 0.0075 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Echinococcus multilocularis 0.0267 0.0102 0.0102
Entamoeba histolytica protein kinase rad3, putative 0.0719 0.0389 0.4313
Loa Loa (eye worm) phosphatidylinositol 3 0.1314 0.0766 0.9578
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0379 0.0174 0.0174
Trichomonas vaginalis PIKK family atypical protein kinase 0.1294 0.0753 0.9807
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0751 0.0409 0.4607
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0379 0.0174 1
Echinococcus granulosus serine protein kinase ATM 0.0751 0.0409 0.0409
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.052 0.0263 0.2413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 0.0414 0.4698
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0719 0.0389 0.0389
Giardia lamblia GTOR 0.1314 0.0766 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0267 0.0102 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0784 0.043 0.4939
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0267 0.0102 0.0027
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0267 0.0102 0.129
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0379 0.0174 0.1073
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.053 0.0269 0.0269
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1314 0.0766 0.1891
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1314 0.0766 0.9643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0764 0.0417 0.4746
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Schistosoma mansoni fkbp-rapamycin associated protein 0.0719 0.0389 0.4378
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.014 0.0022 0.0022
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9566
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0267 0.0102 0.0027
Loa Loa (eye worm) hypothetical protein 0.0797 0.0438 0.5382
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1506 0.0888 0.0888
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1249 0.0724 0.9375
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0307 0.0128 0.0384
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0861 0.0479 0.5675
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1314 0.0766 0.2008
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0751 0.0409 0.462
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1272 0.0739 0.1815
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0379 0.0174 0.0174
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0267 0.0102 0.1154
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.052 0.0263 0.2413
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9566
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1128 0.0648 0.816
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.589 1 1
Trichomonas vaginalis conserved hypothetical protein 0.053 0.0269 0.2512
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.052 0.0263 0.2413
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0268 0.0103 0.0103
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.052 0.0263 0.0505
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0817 0.0451 0.5254
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1314 0.0766 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0484 0.024 0.0437
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1272 0.0739 0.9599
Trichomonas vaginalis PIKK family atypical protein kinase 0.1294 0.0753 0.9807
Trichomonas vaginalis PIKK family atypical protein kinase 0.1249 0.0724 0.9375
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9567
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0719 0.0389 0.0389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.0403 0.4538
Mycobacterium tuberculosis Conserved hypothetical protein 0.0267 0.0102 0.5
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.014 0.0022 0.0022
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0913 0.0512 0.617
Trichomonas vaginalis PIKK family atypical protein kinase 0.0719 0.0389 0.4313
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1359 0.0794 0.0794
Trichomonas vaginalis PIKK family atypical protein kinase 0.1314 0.0766 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1128 0.0648 0.1656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0267 0.0102 0.129
Trichomonas vaginalis PIKK family atypical protein kinase 0.1294 0.0753 0.9807
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0268 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.1294 0.0753 0.9807
Trypanosoma cruzi target of rapamycin kinase 3 0.1294 0.0753 0.197
Trichomonas vaginalis PIKK family atypical protein kinase 0.1274 0.074 0.9616
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1314 0.0766 0.8628
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0379 0.0174 0.1073
Onchocerca volvulus 0.0267 0.0102 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0751 0.0409 0.5149
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1314 0.0766 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0287 0.0115 0.0192
Loa Loa (eye worm) hypothetical protein 0.0393 0.0183 0.2107
Trichomonas vaginalis PIKK family atypical protein kinase 0.1272 0.0739 0.9599
Echinococcus multilocularis Zinc finger, PHD finger 0.0379 0.0174 0.0174
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0379 0.0174 0.11
Loa Loa (eye worm) phosphatidylinositol 3 0.0267 0.0102 0.1081
Brugia malayi Matrixin family protein 0.0178 0.0046 0.0582
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1314 0.0766 0.0766
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1294 0.0753 0.1854
Trichomonas vaginalis PIKK family atypical protein kinase 0.1294 0.0753 0.9807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 0.0414 0.4698
Entamoeba histolytica hypothetical protein 0.0751 0.0409 0.462
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1314 0.0766 0.2008
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0267 0.0102 0.129
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0267 0.0102 0.0102
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0719 0.0389 0.0881
Loa Loa (eye worm) hypothetical protein 0.0267 0.0102 0.1081
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1128 0.0648 0.8224
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1128 0.0648 0.8224
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1359 0.0794 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0253 0.0093 0.0966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0751 0.0409 0.462
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1359 0.0794 0.0794
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1359 0.0794 0.8947
Mycobacterium leprae conserved hypothetical protein 0.0267 0.0102 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.052 0.0263 0.2413
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0379 0.0174 0.1073
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.052 0.0263 0.2413
Loa Loa (eye worm) matrixin family protein 0.0178 0.0046 0.0361
Trichomonas vaginalis conserved hypothetical protein 0.0797 0.0438 0.5061
Echinococcus granulosus adam 17 protease 0.0245 0.0089 0.0089
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0773 0.0423 0.483
Trichomonas vaginalis PIKK family atypical protein kinase 0.1269 0.0737 0.9566
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0267 0.0102 0.0027
Leishmania major phosphatidylinositol 3-kinase, putative 0.1249 0.0724 0.1772
Loa Loa (eye worm) hypothetical protein 0.0735 0.0399 0.4878
Loa Loa (eye worm) phosphatidylinositol 3 0.0267 0.0102 0.1081
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1314 0.0766 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0267 0.0102 0.1081
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1359 0.0794 0.2093
Loa Loa (eye worm) phosphatidylinositol kinase 0.0267 0.0102 0.1081
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.075 0.9759
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0267 0.0102 0.1154
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.052 0.0263 0.2413
Loa Loa (eye worm) matrixin family protein 0.0163 0.0037 0.0241
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.052 0.0263 0.3305
Loa Loa (eye worm) hypothetical protein 0.0719 0.0389 0.4746
Trichomonas vaginalis PIKK family atypical protein kinase 0.0842 0.0467 0.5494
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0719 0.0389 0.4893
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0379 0.0174 0.2186
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0379 0.0174 0.1956
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1314 0.0766 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 0.0414 0.4698
Trichomonas vaginalis PIKK family atypical protein kinase 0.1249 0.0724 0.9375
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1359 0.0794 0.2093
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0267 0.0102 0.0102
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0379 0.0174 0.0239
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0742 0.0403 0.4538
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0267 0.0102 0.1154
Trichomonas vaginalis PIKK family atypical protein kinase 0.1249 0.0724 0.9375
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1128 0.0648 0.8224
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0379 0.0174 0.1956
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0751 0.0409 0.0942
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0267 0.0102 0.0102
Brugia malayi FAT domain containing protein 0.053 0.0269 0.3388
Loa Loa (eye worm) phosphatidylinositol 3 0.1272 0.0739 0.9238
Leishmania major hypothetical protein, conserved 0.5805 0.3611 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0379 0.0174 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0452 0.0219 0.1764
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0299 0.0123 0.0088

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 1 Dialysis activity of the compound is detected at a dose of 50 mpk after 1 hr of po administration ChEMBL. 12270165
Activity (functional) = 2.5 Inhibition of cartilage degradation by the compound was detected using bovine cartilage explant model at 1 uM ChEMBL. 12270165
IC50 (binding) = 2 nM Concentration required in vitro to inhibit Matrix metalloproteinase-9 ChEMBL. 12270165
IC50 (binding) = 2 nM Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 ChEMBL. 12270165
IC50 (binding) = 2 nM Concentration required in vitro to inhibit Matrix metalloproteinase-9 ChEMBL. 12270165
IC50 (binding) = 2 nM Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13 ChEMBL. 12270165
IC50 (binding) = 34 nM Concentration required in vitro to inhibit Matrix metalloproteinase-1 ChEMBL. 12270165
IC50 (binding) = 34 nM Concentration required in vitro to inhibit Matrix metalloproteinase-1 ChEMBL. 12270165
IC50 (binding) = 95 nM Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) ChEMBL. 12270165
IC50 (binding) = 95 nM Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE) ChEMBL. 12270165

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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