Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50032153   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325003 ((R)-5-(4-(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)p...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3c[nH]c(=O)c(Cl)c3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H16ClFN4O4/c24-18-7-14(9-26-19(18)30)12-1-4-15(5-2-12)23(21(32)27-22(33)28-23)11-29-10-13-3-6-16(25)8-17(13)20(29)31/h1-9H,10-11H2,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325002 ((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(=O)[nH]c3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-15-11-28(20(30)18(15)9-17)12-23(21(31)26-22(32)27-23)16-5-1-13(2-6-16)14-4-8-19(29)25-10-14/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325010 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccnc(C)c3)C(=O)c2c1 |r| Show InChI InChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325008 ((R)-5-(4-(3,5-dimethylisoxazol-4-yl)phenyl)-5-((6-...) Show SMILES Cc1noc(C)c1-c1ccc(cc1)[C@]1(CN2Cc3ccc(F)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H19FN4O4/c1-12-19(13(2)32-27-12)14-3-6-16(7-4-14)23(21(30)25-22(31)26-23)11-28-10-15-5-8-17(24)9-18(15)20(28)29/h3-9H,10-11H2,1-2H3,(H2,25,26,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324998 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccccn3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H20N4O4/c1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20/h2-12H,13-14H2,1H3,(H2,26,27,30,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325005 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3nccs3)C(=O)c2c1 |r| Show InChI InChI=1S/C22H18N4O4S/c1-30-16-7-4-14-11-26(19(27)17(14)10-16)12-22(20(28)24-21(29)25-22)15-5-2-13(3-6-15)18-23-8-9-31-18/h2-10H,11-12H2,1H3,(H2,24,25,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325000 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccncc3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H20N4O4/c1-32-19-7-4-17-13-28(21(29)20(17)12-19)14-24(22(30)26-23(31)27-24)18-5-2-15(3-6-18)16-8-10-25-11-9-16/h2-12H,13-14H2,1H3,(H2,26,27,30,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324999 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cccnc3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H20N4O4/c1-32-19-9-6-17-13-28(21(29)20(17)11-19)14-24(22(30)26-23(31)27-24)18-7-4-15(5-8-18)16-3-2-10-25-12-16/h2-12H,13-14H2,1H3,(H2,26,27,30,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50313841 ((R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindol...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(F)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C19H16FN3O4/c1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325014 ((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc4ncccc4c3)C(=O)c2c1 |r| Show InChI InChI=1S/C27H19FN4O3/c28-21-9-5-19-14-32(24(33)22(19)13-21)15-27(25(34)30-26(35)31-27)20-7-3-16(4-8-20)17-6-10-23-18(12-17)2-1-11-29-23/h1-13H,14-15H2,(H2,30,31,34,35)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325009 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cnn(C)c3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H21N5O4/c1-27-11-16(10-24-27)14-3-6-17(7-4-14)23(21(30)25-22(31)26-23)13-28-12-15-5-8-18(32-2)9-19(15)20(28)29/h3-11H,12-13H2,1-2H3,(H2,25,26,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325004 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cncnc3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H19N5O4/c1-32-18-7-4-15-11-28(20(29)19(15)8-18)12-23(21(30)26-22(31)27-23)17-5-2-14(3-6-17)16-9-24-13-25-10-16/h2-10,13H,11-12H2,1H3,(H2,26,27,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325007 ((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cccnc3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H17FN4O3/c24-18-8-5-16-12-28(20(29)19(16)10-18)13-23(21(30)26-22(31)27-23)17-6-3-14(4-7-17)15-2-1-9-25-11-15/h1-11H,12-13H2,(H2,26,27,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325006 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cnccn3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H19N5O4/c1-32-17-7-4-15-12-28(20(29)18(15)10-17)13-23(21(30)26-22(31)27-23)16-5-2-14(3-6-16)19-11-24-8-9-25-19/h2-11H,12-13H2,1H3,(H2,26,27,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325001 ((R)-5-(4-(2-aminopyridin-4-yl)phenyl)-5-((6-methox...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccnc(N)c3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H21N5O4/c1-33-18-7-4-16-12-29(21(30)19(16)11-18)13-24(22(31)27-23(32)28-24)17-5-2-14(3-6-17)15-8-9-26-20(25)10-15/h2-11H,12-13H2,1H3,(H2,25,26)(H2,27,28,31,32)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324994 ((R)-5-(2',4'-difluorobiphenyl-4-yl)-5-((6-fluoro-1...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(F)cc3F)C(=O)c2c1 |r| Show InChI InChI=1S/C24H16F3N3O3/c25-16-6-3-14-11-30(21(31)19(14)9-16)12-24(22(32)28-23(33)29-24)15-4-1-13(2-5-15)18-8-7-17(26)10-20(18)27/h1-10H,11-12H2,(H2,28,29,32,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325015 ((R)-5-(4'-(1H-pyrazol-3-yl)biphenyl-4-yl)-5-((6-me...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(cc3)-c3cc[nH]n3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H23N5O4/c1-37-22-11-8-20-15-33(25(34)23(20)14-22)16-28(26(35)30-27(36)31-28)21-9-6-18(7-10-21)17-2-4-19(5-3-17)24-12-13-29-32-24/h2-14H,15-16H2,1H3,(H,29,32)(H2,30,31,35,36)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325012 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc4cn(C)nc4c3)C(=O)c2c1 |r| Show InChI InChI=1S/C27H23N5O4/c1-31-13-19-4-3-17(11-23(19)30-31)16-5-8-20(9-6-16)27(25(34)28-26(35)29-27)15-32-14-18-7-10-21(36-2)12-22(18)24(32)33/h3-13H,14-15H2,1-2H3,(H2,28,29,34,35)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324993 ((R)-5-(4'-chlorobiphenyl-4-yl)-5-((6-methoxy-1-oxo...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(Cl)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C25H20ClN3O4/c1-33-20-11-6-17-13-29(22(30)21(17)12-20)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-4-9-19(26)10-5-16/h2-12H,13-14H2,1H3,(H2,27,28,31,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325011 ((5R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r| Show InChI InChI=1S/C23H21N5O6/c1-22(18(30)24-20(32)26-22)13-4-6-14(7-5-13)23(19(31)25-21(33)27-23)11-28-10-12-3-8-15(34-2)9-16(12)17(28)29/h3-9H,10-11H2,1-2H3,(H2,24,26,30,32)(H2,25,27,31,33)/t22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324997 ((R)-4'-(4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(cc3)C(N)=O)C(=O)c2c1 |r| Show InChI InChI=1S/C26H22N4O5/c1-35-20-11-8-18-13-30(23(32)21(18)12-20)14-26(24(33)28-25(34)29-26)19-9-6-16(7-10-19)15-2-4-17(5-3-15)22(27)31/h2-12H,13-14H2,1H3,(H2,27,31)(H2,28,29,33,34)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325013 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cnc4n(C)ccc4c3)C(=O)c2c1 |r| Show InChI InChI=1S/C27H23N5O4/c1-31-10-9-17-11-19(13-28-23(17)31)16-3-6-20(7-4-16)27(25(34)29-26(35)30-27)15-32-14-18-5-8-21(36-2)12-22(18)24(32)33/h3-13H,14-15H2,1-2H3,(H2,29,30,34,35)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325021 ((R)-5-(4-(cyclopentyloxy)phenyl)-5-((6-methoxy-1-o...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(OC4CCCC4)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H25N3O5/c1-31-19-9-6-15-13-27(21(28)20(15)12-19)14-24(22(29)25-23(30)26-24)16-7-10-18(11-8-16)32-17-4-2-3-5-17/h6-12,17H,2-5,13-14H2,1H3,(H2,25,26,29,30)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325026 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)C(=O)N3CCCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H24N4O5/c1-33-18-9-6-16-13-28(21(30)19(16)12-18)14-24(22(31)25-23(32)26-24)17-7-4-15(5-8-17)20(29)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,25,26,31,32)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50313824 (5-((5-methoxy-3-oxo-1H-indazol-2(3H)-yl)methyl)-5-...) Show SMILES COc1ccc2[nH]n(CC3(NC(=O)NC3=O)c3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C18H16N4O4/c1-26-12-7-8-14-13(9-12)15(23)22(21-14)10-18(11-5-3-2-4-6-11)16(24)19-17(25)20-18/h2-9,21H,10H2,1H3,(H2,19,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325024 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)N3CCOCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H24N4O5/c1-31-18-7-2-15-13-27(20(28)19(15)12-18)14-23(21(29)24-22(30)25-23)16-3-5-17(6-4-16)26-8-10-32-11-9-26/h2-7,12H,8-11,13-14H2,1H3,(H2,24,25,29,30)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325022 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(Oc4ccncc4)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C24H20N4O5/c1-32-19-5-2-15-13-28(21(29)20(15)12-19)14-24(22(30)26-23(31)27-24)16-3-6-17(7-4-16)33-18-8-10-25-11-9-18/h2-12H,13-14H2,1H3,(H2,26,27,30,31)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325023 ((R)-5-(4-(isoquinolin-6-yloxy)phenyl)-5-((6-methox...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(Oc4ccc5cnccc5c4)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H22N4O5/c1-36-22-6-3-19-15-32(25(33)24(19)13-22)16-28(26(34)30-27(35)31-28)20-4-8-21(9-5-20)37-23-7-2-18-14-29-11-10-17(18)12-23/h2-14H,15-16H2,1H3,(H2,30,31,34,35)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325025 ((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)N3CCCC3=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H19FN4O4/c23-15-6-3-13-11-26(19(29)17(13)10-15)12-22(20(30)24-21(31)25-22)14-4-7-16(8-5-14)27-9-1-2-18(27)28/h3-8,10H,1-2,9,11-12H2,(H2,24,25,30,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324996 ((R)-methyl 4'-(4-((6-methoxy-1-oxoisoindolin-2-yl)...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(cc1)[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C27H23N3O6/c1-35-21-12-9-19-14-30(23(31)22(19)13-21)15-27(25(33)28-26(34)29-27)20-10-7-17(8-11-20)16-3-5-18(6-4-16)24(32)36-2/h3-13H,14-15H2,1-2H3,(H2,28,29,33,34)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325018 ((5R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES Cn1nnnc1-c1ccccc1-c1ccc(cc1)[C@]1(CN2Cc3ccc(F)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C26H20FN7O3/c1-33-22(30-31-32-33)20-5-3-2-4-19(20)15-6-9-17(10-7-15)26(24(36)28-25(37)29-26)14-34-13-16-8-11-18(27)12-21(16)23(34)35/h2-12H,13-14H2,1H3,(H2,28,29,36,37)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50324995 ((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...) Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(cc3)C(F)(F)F)C(=O)c2c1 |r| Show InChI InChI=1S/C25H17F4N3O3/c26-19-10-5-16-12-32(21(33)20(16)11-19)13-24(22(34)30-23(35)31-24)17-6-1-14(2-7-17)15-3-8-18(9-4-15)25(27,28)29/h1-11H,12-13H2,(H2,30,31,34,35)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325020 ((+/-)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-...) Show SMILES Fc1ccc2CN(CC3(NC(=O)NC3=O)c3cccc(Oc4ccccc4)c3)C(=O)c2c1 Show InChI InChI=1S/C24H18FN3O4/c25-17-10-9-15-13-28(21(29)20(15)12-17)14-24(22(30)26-23(31)27-24)16-5-4-8-19(11-16)32-18-6-2-1-3-7-18/h1-12H,13-14H2,(H2,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325017 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cc(no3)-c3ccccc3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H22N4O5/c1-36-21-12-9-19-15-32(25(33)22(19)13-21)16-28(26(34)29-27(35)30-28)20-10-7-18(8-11-20)24-14-23(31-37-24)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H2,29,30,34,35)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325019 ((+/-)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-...) Show SMILES Fc1ccc2CN(CC3(NC(=O)NC3=O)c3ccccc3Oc3ccccc3)C(=O)c2c1 Show InChI InChI=1S/C24H18FN3O4/c25-16-11-10-15-13-28(21(29)18(15)12-16)14-24(22(30)26-23(31)27-24)19-8-4-5-9-20(19)32-17-6-2-1-3-7-17/h1-12H,13-14H2,(H2,26,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50325016 ((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cccc(c3)-c3csc(C)n3)C(=O)c2c1 |r| Show InChI InChI=1S/C29H24N4O4S/c1-17-30-25(15-38-17)20-5-3-4-19(12-20)18-6-9-22(10-7-18)29(27(35)31-28(36)32-29)16-33-14-21-8-11-23(37-2)13-24(21)26(33)34/h3-13,15H,14,16H2,1-2H3,(H2,31,32,35,36)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage				Bioorg Med Chem Lett 20: 5286-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.134 BindingDB Entry DOI: 10.7270/Q26W9B8K
					More data for this Ligand-Target Pair