Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50020447   

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))	BDBM50213951 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1C)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-16-33-20-10-12-21(13-11-20)34(31,32)18-25(24(29)26-30)14-7-15-27(17-25)23(28)22-9-6-5-8-19(22)2/h5-6,8-13,30H,7,14-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213956 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...) Show SMILES CCOCc1ccc(cc1)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:16.17| Show InChI InChI=1S/C27H32N2O7S/c1-3-5-17-36-23-11-13-24(14-12-23)37(33,34)20-27(26(31)28-32)15-6-16-29(19-27)25(30)22-9-7-21(8-10-22)18-35-4-2/h7-14,32H,4,6,15-20H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213944 (CHEMBL399096 | isobutyl 3-((4-(but-2-ynyloxy)pheny...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OCC(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-4-5-13-30-18-7-9-19(10-8-18)32(28,29)16-22(20(25)23-27)11-6-12-24(15-22)21(26)31-14-17(2)3/h7-10,17,27H,6,11-16H2,1-3H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213939 (1-(benzylsulfonyl)-3-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-16-33-21-10-12-22(13-11-21)34(29,30)19-24(23(27)25-28)14-7-15-26(18-24)35(31,32)17-20-8-5-4-6-9-20/h4-6,8-13,28H,7,14-19H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213952 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-15-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-6-14-27(17-25)23(28)20-8-5-7-19(2)16-20/h5,7-12,16,30H,6,13-15,17-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213945 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-13-29-17-7-9-18(10-8-17)30(25,26)15-20(19(23)21-24)11-6-12-22(14-20)31(27,28)16(2)3/h7-10,16,24H,6,11-15H2,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213940 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccncc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C23H27N3O7S2/c1-2-3-15-33-20-5-7-21(8-6-20)34(29,30)18-23(22(27)25-28)11-4-14-26(17-23)35(31,32)16-19-9-12-24-13-10-19/h5-10,12-13,28H,4,11,14-18H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213954 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CCC(C)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:10.10,2.2| Show InChI InChI=1S/C22H30N2O6S/c1-4-6-14-30-18-8-10-19(11-9-18)31(28,29)16-22(21(26)23-27)12-7-13-24(15-22)20(25)17(3)5-2/h8-11,17,27H,5,7,12-16H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213942 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C21H28N2O6S/c1-4-5-13-29-17-7-9-18(10-8-17)30(27,28)15-21(20(25)22-26)11-6-12-23(14-21)19(24)16(2)3/h7-10,16,26H,6,11-15H2,1-3H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213946 (CHEMBL250094 | ethyl 3-((4-(but-2-ynyloxy)phenylsu...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H26N2O7S/c1-3-5-13-29-16-7-9-17(10-8-16)30(26,27)15-20(18(23)21-25)11-6-12-22(14-20)19(24)28-4-2/h7-10,25H,4,6,11-15H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213949 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H29N3O5S/c1-3-4-14-26-21-9-11-22(12-10-21)34(32,33)18-25(24(30)27-31)13-6-15-28(17-25)23(29)20-8-5-7-19(2)16-20/h5,7-12,16,26,31H,6,13-15,17-18H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213955 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccc(C)cc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-16-33-21-10-12-22(13-11-21)34(31,32)18-25(24(29)26-30)14-5-15-27(17-25)23(28)20-8-6-19(2)7-9-20/h6-13,30H,5,14-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213947 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N1,N1-...) Show SMILES CCN(CC)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:11.11| Show InChI InChI=1S/C22H31N3O6S/c1-4-7-15-31-18-9-11-19(12-10-18)32(29,30)17-22(20(26)23-28)13-8-14-25(16-22)21(27)24(5-2)6-3/h9-12,28H,5-6,8,13-17H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213943 (CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213950 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-7-9-18(10-8-17)30(26,27)15-20(19(24)22-25)11-6-13-23(14-20)31(28,29)16(2)3/h7-10,16,21,25H,6,11-15H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213957 (CHEMBL446456 | ethyl 3-((4-(but-2-ynylamino)phenyl...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(NCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H27N3O6S/c1-3-5-12-21-16-7-9-17(10-8-16)30(27,28)15-20(18(24)22-26)11-6-13-23(14-20)19(25)29-4-2/h7-10,21,26H,4,6,11-15H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213953 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCNC1)C(=O)NO |w:15.15| Show InChI InChI=1S/C17H22N2O5S/c1-2-3-11-24-14-5-7-15(8-6-14)25(22,23)13-17(16(20)19-21)9-4-10-18-12-17/h5-8,18,21H,4,9-13H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213939 (1-(benzylsulfonyl)-3-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-16-33-21-10-12-22(13-11-21)34(29,30)19-24(23(27)25-28)14-7-15-26(18-24)35(31,32)17-20-8-5-4-6-9-20/h4-6,8-13,28H,7,14-19H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213956 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...) Show SMILES CCOCc1ccc(cc1)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:16.17| Show InChI InChI=1S/C27H32N2O7S/c1-3-5-17-36-23-11-13-24(14-12-23)37(33,34)20-27(26(31)28-32)15-6-16-29(19-27)25(30)22-9-7-21(8-10-22)18-35-4-2/h7-14,32H,4,6,15-20H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213954 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CCC(C)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:10.10,2.2| Show InChI InChI=1S/C22H30N2O6S/c1-4-6-14-30-18-8-10-19(11-9-18)31(28,29)16-22(21(26)23-27)12-7-13-24(15-22)20(25)17(3)5-2/h8-11,17,27H,5,7,12-16H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213945 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-13-29-17-7-9-18(10-8-17)30(25,26)15-20(19(23)21-24)11-6-12-22(14-20)31(27,28)16(2)3/h7-10,16,24H,6,11-15H2,1-3H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213955 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccc(C)cc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-16-33-21-10-12-22(13-11-21)34(31,32)18-25(24(29)26-30)14-5-15-27(17-25)23(28)20-8-6-19(2)7-9-20/h6-13,30H,5,14-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213942 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C21H28N2O6S/c1-4-5-13-29-17-7-9-18(10-8-17)30(27,28)15-21(20(25)22-26)11-6-12-23(14-21)19(24)16(2)3/h7-10,16,26H,6,11-15H2,1-3H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213951 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1C)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-16-33-20-10-12-21(13-11-20)34(31,32)18-25(24(29)26-30)14-7-15-27(17-25)23(28)22-9-6-5-8-19(22)2/h5-6,8-13,30H,7,14-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213956 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(4-(...) Show SMILES CCOCc1ccc(cc1)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:16.17| Show InChI InChI=1S/C27H32N2O7S/c1-3-5-17-36-23-11-13-24(14-12-23)37(33,34)20-27(26(31)28-32)15-6-16-29(19-27)25(30)22-9-7-21(8-10-22)18-35-4-2/h7-14,32H,4,6,15-20H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213940 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccncc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C23H27N3O7S2/c1-2-3-15-33-20-5-7-21(8-6-20)34(29,30)18-23(22(27)25-28)11-4-14-26(17-23)35(31,32)16-19-9-12-24-13-10-19/h5-10,12-13,28H,4,11,14-18H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213944 (CHEMBL399096 | isobutyl 3-((4-(but-2-ynyloxy)pheny...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OCC(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-4-5-13-30-18-7-9-19(10-8-18)32(28,29)16-22(20(25)23-27)11-6-12-24(15-22)21(26)31-14-17(2)3/h7-10,17,27H,6,11-16H2,1-3H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213950 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H29N3O6S2/c1-4-5-12-21-17-7-9-18(10-8-17)30(26,27)15-20(19(24)22-25)11-6-13-23(14-20)31(28,29)16(2)3/h7-10,16,21,25H,6,11-15H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213952 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-15-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-6-14-27(17-25)23(28)20-8-5-7-19(2)16-20/h5,7-12,16,30H,6,13-15,17-18H2,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213953 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCNC1)C(=O)NO |w:15.15| Show InChI InChI=1S/C17H22N2O5S/c1-2-3-11-24-14-5-7-15(8-6-14)25(22,23)13-17(16(20)19-21)9-4-10-18-12-17/h5-8,18,21H,4,9-13H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213940 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccncc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C23H27N3O7S2/c1-2-3-15-33-20-5-7-21(8-6-20)34(29,30)18-23(22(27)25-28)11-4-14-26(17-23)35(31,32)16-19-9-12-24-13-10-19/h5-10,12-13,28H,4,11,14-18H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213946 (CHEMBL250094 | ethyl 3-((4-(but-2-ynyloxy)phenylsu...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H26N2O7S/c1-3-5-13-29-16-7-9-17(10-8-16)30(26,27)15-20(18(23)21-25)11-6-12-22(14-20)19(24)28-4-2/h7-10,25H,4,6,11-15H2,1-2H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213954 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CCC(C)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:10.10,2.2| Show InChI InChI=1S/C22H30N2O6S/c1-4-6-14-30-18-8-10-19(11-9-18)31(28,29)16-22(21(26)23-27)12-7-13-24(15-22)20(25)17(3)5-2/h8-11,17,27H,5,7,12-16H2,1-3H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213944 (CHEMBL399096 | isobutyl 3-((4-(but-2-ynyloxy)pheny...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OCC(C)C)C(=O)NO Show InChI InChI=1S/C22H30N2O7S/c1-4-5-13-30-18-7-9-19(10-8-18)32(28,29)16-22(20(25)23-27)11-6-12-24(15-22)21(26)31-14-17(2)3/h7-10,17,27H,6,11-16H2,1-3H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213945 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C20H28N2O7S2/c1-4-5-13-29-17-7-9-18(10-8-17)30(25,26)15-20(19(23)21-24)11-6-12-22(14-20)31(27,28)16(2)3/h7-10,16,24H,6,11-15H2,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213942 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)C(C)C)C(=O)NO |w:15.15| Show InChI InChI=1S/C21H28N2O6S/c1-4-5-13-29-17-7-9-18(10-8-17)30(27,28)15-21(20(25)22-26)11-6-12-23(14-21)19(24)16(2)3/h7-10,16,26H,6,11-15H2,1-3H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213957 (CHEMBL446456 | ethyl 3-((4-(but-2-ynylamino)phenyl...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(NCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H27N3O6S/c1-3-5-12-21-16-7-9-17(10-8-16)30(27,28)15-20(18(24)22-26)11-6-13-23(14-20)19(25)29-4-2/h7-10,21,26H,4,6,11-15H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213939 (1-(benzylsulfonyl)-3-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-16-33-21-10-12-22(13-11-21)34(29,30)19-24(23(27)25-28)14-7-15-26(18-24)35(31,32)17-20-8-5-4-6-9-20/h4-6,8-13,28H,7,14-19H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213955 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccc(C)cc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-16-33-21-10-12-22(13-11-21)34(31,32)18-25(24(29)26-30)14-5-15-27(17-25)23(28)20-8-6-19(2)7-9-20/h6-13,30H,5,14-18H2,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213949 (3-((4-(but-2-ynylamino)phenylsulfonyl)methyl)-N-hy...) Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H29N3O5S/c1-3-4-14-26-21-9-11-22(12-10-21)34(32,33)18-25(24(30)27-31)13-6-15-28(17-25)23(29)20-8-5-7-19(2)16-20/h5,7-12,16,26,31H,6,13-15,17-18H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213954 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CCC(C)C(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:10.10,2.2| Show InChI InChI=1S/C22H30N2O6S/c1-4-6-14-30-18-8-10-19(11-9-18)31(28,29)16-22(21(26)23-27)12-7-13-24(15-22)20(25)17(3)5-2/h8-11,17,27H,5,7,12-16H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213952 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1cccc(C)c1)C(=O)NO |w:15.15| Show InChI InChI=1S/C25H28N2O6S/c1-3-4-15-33-21-9-11-22(12-10-21)34(31,32)18-25(24(29)26-30)13-6-14-27(17-25)23(28)20-8-5-7-19(2)16-20/h5,7-12,16,30H,6,13-15,17-18H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213946 (CHEMBL250094 | ethyl 3-((4-(but-2-ynyloxy)phenylsu...) Show SMILES CCOC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:9.9| Show InChI InChI=1S/C20H26N2O7S/c1-3-5-13-29-16-7-9-17(10-8-16)30(26,27)15-20(18(23)21-25)11-6-12-22(14-20)19(24)28-4-2/h7-10,25H,4,6,11-15H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50213940 (3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)S(=O)(=O)Cc1ccncc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C23H27N3O7S2/c1-2-3-15-33-20-5-7-21(8-6-20)34(29,30)18-23(22(27)25-28)11-4-14-26(17-23)35(31,32)16-19-9-12-24-13-10-19/h5-10,12-13,28H,4,11,14-18H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair

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