Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50035181   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106133 (5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...) Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106133 (5-Bromo-2-{[4-(4-chloro-phenoxy)-benzenesulfonyl]-...) Show SMILES CN(c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H28BrClN4O5S/c1-30-11-13-32(14-12-30)17-18-15-19(27)16-24(26(33)29-34)25(18)31(2)38(35,36)23-9-7-22(8-10-23)37-21-5-3-20(28)4-6-21/h3-10,15-16,34H,11-14,17H2,1-2H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106136 (2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...) Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106136 (2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...) Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106130 (CHEMBL100512 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cccc1C(=O)NO Show InChI InChI=1S/C21H28N4O5S/c1-23-11-13-25(14-12-23)15-16-5-4-6-19(21(26)22-27)20(16)24(2)31(28,29)18-9-7-17(30-3)8-10-18/h4-10,27H,11-15H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106131 (CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106147 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C21H27BrN4O5S/c1-24-8-10-26(11-9-24)14-15-12-16(22)13-19(21(27)23-28)20(15)25(2)32(29,30)18-6-4-17(31-3)5-7-18/h4-7,12-13,28H,8-11,14H2,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106141 (4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H31F3N4O6S/c1-33-12-14-35(15-13-33)18-21-16-20(19-4-6-23(7-5-19)41-28(29,30)31)17-25(27(36)32-37)26(21)34(2)42(38,39)24-10-8-22(40-3)9-11-24/h4-11,16-17,37H,12-15,18H2,1-3H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106138 (2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CN(C)C)cc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106144 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)c2ccccc2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C26H29BrN4O5S/c1-29(37(34,35)23-10-8-22(36-2)9-11-23)25-19(16-20(27)17-24(25)26(32)28-33)18-30-12-14-31(15-13-30)21-6-4-3-5-7-21/h3-11,16-17,33H,12-15,18H2,1-2H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106131 (CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106144 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)c2ccccc2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C26H29BrN4O5S/c1-29(37(34,35)23-10-8-22(36-2)9-11-23)25-19(16-20(27)17-24(25)26(32)28-33)18-30-12-14-31(15-13-30)21-6-4-3-5-7-21/h3-11,16-17,33H,12-15,18H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106141 (4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-5-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H31F3N4O6S/c1-33-12-14-35(15-13-33)18-21-16-20(19-4-6-23(7-5-19)41-28(29,30)31)17-25(27(36)32-37)26(21)34(2)42(38,39)24-10-8-22(40-3)9-11-24/h4-11,16-17,37H,12-15,18H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106147 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C21H27BrN4O5S/c1-24-8-10-26(11-9-24)14-15-12-16(22)13-19(21(27)23-28)20(15)25(2)32(29,30)18-6-4-17(31-3)5-7-18/h4-7,12-13,28H,8-11,14H2,1-3H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106137 (CHEMBL100280 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCOCC2)cccc1C(=O)NO Show InChI InChI=1S/C20H25N3O6S/c1-22(30(26,27)17-8-6-16(28-2)7-9-17)19-15(14-23-10-12-29-13-11-23)4-3-5-18(19)20(24)21-25/h3-9,25H,10-14H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106143 (1-{3-Hydroxycarbamoyl-2-[(4-methoxy-benzenesulfony...) Show SMILES COC(=O)C1CCCN1Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O7S/c1-24(33(29,30)17-11-9-16(31-2)10-12-17)20-15(6-4-7-18(20)21(26)23-28)14-25-13-5-8-19(25)22(27)32-3/h4,6-7,9-12,19,28H,5,8,13-14H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106143 (1-{3-Hydroxycarbamoyl-2-[(4-methoxy-benzenesulfony...) Show SMILES COC(=O)C1CCCN1Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O7S/c1-24(33(29,30)17-11-9-16(31-2)10-12-17)20-15(6-4-7-18(20)21(26)23-28)14-25-13-5-8-19(25)22(27)32-3/h4,6-7,9-12,19,28H,5,8,13-14H2,1-3H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106140 (4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106129 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#CCN1CCN(C)CC1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C24H29BrN4O5S/c1-18-16-19(25)17-22(24(30)26-31)23(18)29(11-5-4-10-28-14-12-27(2)13-15-28)35(32,33)21-8-6-20(34-3)7-9-21/h6-9,16-17,31H,10-15H2,1-3H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106140 (4-{5-Bromo-3-hydroxycarbamoyl-2-[(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C25H33BrN4O7S/c1-25(2,3)37-24(32)30-12-10-29(11-13-30)16-17-14-18(26)15-21(23(31)27-33)22(17)28(4)38(34,35)20-8-6-19(36-5)7-9-20/h6-9,14-15,33H,10-13,16H2,1-5H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106128 (CHEMBL100081 | N-Hydroxy-2-{(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C29H35N3O6S/c1-22-7-6-8-27(29(33)30-34)28(22)32(39(35,36)26-15-13-24(37-2)14-16-26)21-23-9-11-25(12-10-23)38-20-19-31-17-4-3-5-18-31/h6-16,34H,3-5,17-21H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106132 (5-Bromo-2-[(4-diethylamino-but-2-ynyl)-(4-methoxy-...) Show SMILES CCN(CC)CC#CCN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H28BrN3O5S/c1-5-26(6-2)13-7-8-14-27(33(30,31)20-11-9-19(32-4)10-12-20)22-17(3)15-18(24)16-21(22)23(28)25-29/h9-12,15-16,29H,5-6,13-14H2,1-4H3,(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	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-1.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106142 (CHEMBL318922 | N-Hydroxy-2-{(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N1CCN(C)CC1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C27H32N4O5S/c1-20-5-4-6-25(27(32)28-33)26(20)31(37(34,35)24-13-11-23(36-3)12-14-24)19-21-7-9-22(10-8-21)30-17-15-29(2)16-18-30/h4-14,33H,15-19H2,1-3H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106139 (3-Diethylaminomethyl-N-hydroxy-2-[(4-methoxy-benze...) Show SMILES CCN(CC)Cc1cccc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H27N3O5S/c1-5-23(6-2)14-15-8-7-9-18(20(24)21-25)19(15)22(3)29(26,27)17-12-10-16(28-4)11-13-17/h7-13,25H,5-6,14H2,1-4H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106134 (CHEMBL101413 | N-Hydroxy-3-imidazol-1-ylmethyl-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(Cn2ccnc2)cccc1C(=O)NO Show InChI InChI=1S/C19H20N4O5S/c1-22(29(26,27)16-8-6-15(28-2)7-9-16)18-14(12-23-11-10-20-13-23)4-3-5-17(18)19(24)21-25/h3-11,13,25H,12H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106129 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#CCN1CCN(C)CC1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C24H29BrN4O5S/c1-18-16-19(25)17-22(24(30)26-31)23(18)29(11-5-4-10-28-14-12-27(2)13-15-28)35(32,33)21-8-6-20(34-3)7-9-21/h6-9,16-17,31H,10-15H2,1-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106146 (2-[(4-Diethylamino-but-2-ynyl)-(4-methoxy-benzenes...) Show SMILES CCN(CC)CC#CCN(c1c(C)cccc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H29N3O5S/c1-5-25(6-2)16-7-8-17-26(22-18(3)10-9-11-21(22)23(27)24-28)32(29,30)20-14-12-19(31-4)13-15-20/h9-15,28H,5-6,16-17H2,1-4H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106138 (2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benze...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CN(C)C)cc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C25H29N3O5S/c1-18-6-5-7-23(25(29)26-30)24(18)28(17-20-10-8-19(9-11-20)16-27(2)3)34(31,32)22-14-12-21(33-4)13-15-22/h5-15,30H,16-17H2,1-4H3,(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	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106130 (CHEMBL100512 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cccc1C(=O)NO Show InChI InChI=1S/C21H28N4O5S/c1-23-11-13-25(14-12-23)15-16-5-4-6-19(21(26)22-27)20(16)24(2)31(28,29)18-9-7-17(30-3)8-10-18/h4-10,27H,11-15H2,1-3H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106137 (CHEMBL100280 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCOCC2)cccc1C(=O)NO Show InChI InChI=1S/C20H25N3O6S/c1-22(30(26,27)17-8-6-16(28-2)7-9-17)19-15(14-23-10-12-29-13-11-23)4-3-5-18(19)20(24)21-25/h3-9,25H,10-14H2,1-2H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106132 (5-Bromo-2-[(4-diethylamino-but-2-ynyl)-(4-methoxy-...) Show SMILES CCN(CC)CC#CCN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H28BrN3O5S/c1-5-26(6-2)13-7-8-14-27(33(30,31)20-11-9-19(32-4)10-12-20)22-17(3)15-18(24)16-21(22)23(28)25-29/h9-12,15-16,29H,5-6,13-14H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50096463 (CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50106146 (2-[(4-Diethylamino-but-2-ynyl)-(4-methoxy-benzenes...) Show SMILES CCN(CC)CC#CCN(c1c(C)cccc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H29N3O5S/c1-5-25(6-2)16-7-8-17-26(22-18(3)10-9-11-21(22)23(27)24-28)32(29,30)20-14-12-19(31-4)13-15-20/h9-15,28H,5-6,16-17H2,1-4H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106142 (CHEMBL318922 | N-Hydroxy-2-{(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N1CCN(C)CC1)c1c(C)cccc1C(=O)NO Show InChI InChI=1S/C27H32N4O5S/c1-20-5-4-6-25(27(32)28-33)26(20)31(37(34,35)24-13-11-23(36-3)12-14-24)19-21-7-9-22(10-8-21)30-17-15-29(2)16-18-30/h4-14,33H,15-19H2,1-3H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106129 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#CCN1CCN(C)CC1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C24H29BrN4O5S/c1-18-16-19(25)17-22(24(30)26-31)23(18)29(11-5-4-10-28-14-12-27(2)13-15-28)35(32,33)21-8-6-20(34-3)7-9-21/h6-9,16-17,31H,10-15H2,1-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106147 (5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C21H27BrN4O5S/c1-24-8-10-26(11-9-24)14-15-12-16(22)13-19(21(27)23-28)20(15)25(2)32(29,30)18-6-4-17(31-3)5-7-18/h4-7,12-13,28H,8-11,14H2,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50106145 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCN2CCCCC2)cc1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C29H34BrN3O6S/c1-21-18-23(30)19-27(29(34)31-35)28(21)33(40(36,37)26-12-10-24(38-2)11-13-26)20-22-6-8-25(9-7-22)39-17-16-32-14-4-3-5-15-32/h6-13,18-19,35H,3-5,14-17,20H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-1.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106132 (5-Bromo-2-[(4-diethylamino-but-2-ynyl)-(4-methoxy-...) Show SMILES CCN(CC)CC#CCN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H28BrN3O5S/c1-5-26(6-2)13-7-8-14-27(33(30,31)20-11-9-19(32-4)10-12-20)22-17(3)15-18(24)16-21(22)23(28)25-29/h9-12,15-16,29H,5-6,13-14H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50106134 (CHEMBL101413 | N-Hydroxy-3-imidazol-1-ylmethyl-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(Cn2ccnc2)cccc1C(=O)NO Show InChI InChI=1S/C19H20N4O5S/c1-22(29(26,27)16-8-6-15(28-2)7-9-16)18-14(12-23-11-10-20-13-23)4-3-5-17(18)19(24)21-25/h3-11,13,25H,12H2,1-2H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106131 (CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair

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