Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50015945   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50162738 (1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c1-2-3-17-32-19-9-11-20(12-10-19)33(30,31)26-16-15-25(14-13-21(26)22(27)24-29)23(28)18-7-5-4-6-8-18/h4-12,21,29H,13-17H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162730 (4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162744 (1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-hydrox...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C17H23N3O7S2/c1-3-4-12-27-14-6-8-15(9-7-14)29(25,26)20-11-5-10-19(28(2,23)24)13-16(20)17(21)18-22/h6-9,16,22H,5,10-13H2,1-2H3,(H,18,21)	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 Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162742 (4-(4-But-2-ynyloxy-benzenesulfonyl)-5-hydroxycarba...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H29N3O7S/c1-5-6-15-30-16-7-9-17(10-8-16)32(28,29)24-14-13-23(20(26)31-21(2,3)4)12-11-18(24)19(25)22-27/h7-10,18,27H,11-15H2,1-4H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162735 (CHEMBL369574 | {2-[4-(4-But-2-ynyloxy-benzenesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)CNC(=O)OC(C)(C)C Show InChI InChI=1S/C23H32N4O8S/c1-5-6-14-34-17-8-10-18(11-9-17)36(32,33)27-13-7-12-26(16-19(27)21(29)25-31)20(28)15-24-22(30)35-23(2,3)4/h8-11,19,31H,7,12-16H2,1-4H3,(H,24,30)(H,25,29)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162731 (1-Benzyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CCC1C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-17-31-20-9-11-21(12-10-20)32(29,30)26-16-15-25(14-13-22(26)23(27)24-28)18-19-7-5-4-6-8-19/h4-12,22,28H,13-18H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162736 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-is...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)C(C)C Show InChI InChI=1S/C20H27N3O6S/c1-4-5-14-29-16-6-8-17(9-7-16)30(27,28)23-13-12-22(20(25)15(2)3)11-10-18(23)19(24)21-26/h6-9,15,18,26H,10-14H2,1-3H3,(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	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162738 (1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c1-2-3-17-32-19-9-11-20(12-10-19)33(30,31)26-16-15-25(14-13-21(26)22(27)24-29)23(28)18-7-5-4-6-8-18/h4-12,21,29H,13-17H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162729 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(thiophene-2...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C21H23N3O6S2/c1-2-3-13-30-16-7-9-17(10-8-16)32(28,29)24-12-5-11-23(15-18(24)20(25)22-27)21(26)19-6-4-14-31-19/h4,6-10,14,18,27H,5,11-13,15H2,1H3,(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	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162753 (1-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]diazepane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCNCC1C(=O)NO Show InChI InChI=1S/C16H21N3O5S/c1-2-3-11-24-13-5-7-14(8-6-13)25(22,23)19-10-4-9-17-12-15(19)16(20)18-21/h5-8,15,17,21H,4,9-12H2,1H3,(H,18,20)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162741 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]thiazepan...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSCCC1C(=O)NO Show InChI InChI=1S/C16H20N2O5S2/c1-2-3-10-23-13-4-6-14(7-5-13)25(21,22)18-9-12-24-11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162728 (4-(2-Amino-acetyl)-1-(4-but-2-ynyloxy-benzenesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)CN Show InChI InChI=1S/C18H24N4O6S/c1-2-3-11-28-14-5-7-15(8-6-14)29(26,27)22-10-4-9-21(17(23)12-19)13-16(22)18(24)20-25/h5-8,16,25H,4,9-13,19H2,1H3,(H,20,24)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162741 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]thiazepan...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSCCC1C(=O)NO Show InChI InChI=1S/C16H20N2O5S2/c1-2-3-10-23-13-4-6-14(7-5-13)25(21,22)18-9-12-24-11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162754 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]diazepane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)NC#CC=CC#C |w:31.33| Show InChI InChI=1S/C23H24N4O6S/c1-3-5-7-8-14-24-23(29)26-15-9-16-27(21(18-26)22(28)25-30)34(31,32)20-12-10-19(11-13-20)33-17-6-4-2/h1,5,7,10-13,21,30H,9,15-18H2,2H3,(H,24,29)(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	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162745 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-(2...) Show SMILES COCC(=O)N1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C19H25N3O7S/c1-3-4-13-29-15-5-7-16(8-6-15)30(26,27)22-12-11-21(18(23)14-28-2)10-9-17(22)19(24)20-25/h5-8,17,25H,9-14H2,1-2H3,(H,20,24)	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 Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162739 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-1-ethyl-N-hydr...) Show SMILES CCN1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C18H25N3O5S/c1-3-5-14-26-15-6-8-16(9-7-15)27(24,25)21-13-12-20(4-2)11-10-17(21)18(22)19-23/h6-9,17,23H,4,10-14H2,1-2H3,(H,19,22)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162743 (4-Benzoyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-10-12-20(13-11-19)33(30,31)26-15-7-14-25(17-21(26)22(27)24-29)23(28)18-8-5-4-6-9-18/h4-6,8-13,21,29H,7,14-17H2,1H3,(H,24,27)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162750 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-pr...) Show SMILES CCC(=O)N1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C19H25N3O6S/c1-3-5-14-28-15-6-8-16(9-7-15)29(26,27)22-13-12-21(18(23)4-2)11-10-17(22)19(24)20-25/h6-9,17,25H,4,10-14H2,1-2H3,(H,20,24)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162750 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-pr...) Show SMILES CCC(=O)N1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C19H25N3O6S/c1-3-5-14-28-15-6-8-16(9-7-15)29(26,27)22-13-12-21(18(23)4-2)11-10-17(22)19(24)20-25/h6-9,17,25H,4,10-14H2,1-2H3,(H,20,24)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162749 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]thiazepan...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C16H20N2O5S2/c1-2-3-10-23-13-5-7-14(8-6-13)25(21,22)18-9-4-11-24-12-15(18)16(19)17-20/h5-8,15,20H,4,9-12H2,1H3,(H,17,19)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162733 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-me...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(C)CCC1C(=O)NO Show InChI InChI=1S/C17H23N3O5S/c1-3-4-13-25-14-5-7-15(8-6-14)26(23,24)20-12-11-19(2)10-9-16(20)17(21)18-22/h5-8,16,22H,9-13H2,1-2H3,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162733 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-me...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(C)CCC1C(=O)NO Show InChI InChI=1S/C17H23N3O5S/c1-3-4-13-25-14-5-7-15(8-6-14)26(23,24)20-12-11-19(2)10-9-16(20)17(21)18-22/h5-8,16,22H,9-13H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162736 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-is...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)C(C)C Show InChI InChI=1S/C20H27N3O6S/c1-4-5-14-29-16-6-8-17(9-7-16)30(27,28)23-13-12-22(20(25)15(2)3)11-10-18(23)19(24)21-26/h6-9,15,18,26H,10-14H2,1-3H3,(H,21,24)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162748 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-methyl-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(C)CC1C(=O)NO Show InChI InChI=1S/C17H23N3O5S/c1-3-4-12-25-14-6-8-15(9-7-14)26(23,24)20-11-5-10-19(2)13-16(20)17(21)18-22/h6-9,16,22H,5,10-13H2,1-2H3,(H,18,21)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162746 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1,4-...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCNCCC1C(=O)NO Show InChI InChI=1S/C16H21N3O5S/c1-2-3-12-24-13-4-6-14(7-5-13)25(22,23)19-11-10-17-9-8-15(19)16(20)18-21/h4-7,15,17,21H,8-12H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162734 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)CC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-5-7-14(8-6-13)27(23,24)18-9-4-11-26(21,22)12-15(18)16(19)17-20/h5-8,15,20H,4,9-12H2,1H3,(H,17,19)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162751 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(propane-1-s...) Show SMILES CCCS(=O)(=O)N1CCCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1 Show InChI InChI=1S/C19H27N3O7S2/c1-3-5-13-29-16-7-9-17(10-8-16)31(27,28)22-12-6-11-21(30(25,26)14-4-2)15-18(22)19(23)20-24/h7-10,18,24H,4,6,11-15H2,1-2H3,(H,20,23)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162745 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-(2...) Show SMILES COCC(=O)N1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C19H25N3O7S/c1-3-4-13-29-15-5-7-16(8-6-15)30(26,27)22-12-11-21(18(23)14-28-2)10-9-17(22)19(24)20-25/h5-8,17,25H,9-14H2,1-2H3,(H,20,24)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162746 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1,4-...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCNCCC1C(=O)NO Show InChI InChI=1S/C16H21N3O5S/c1-2-3-12-24-13-4-6-14(7-5-13)25(22,23)19-11-10-17-9-8-15(19)16(20)18-21/h4-7,15,17,21H,8-12H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162747 (4-(4-But-2-ynyloxy-benzenesulfonyl)-3-hydroxycarba...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H29N3O7S/c1-5-6-14-30-16-8-10-17(11-9-16)32(28,29)24-13-7-12-23(15-18(24)19(25)22-27)20(26)31-21(2,3)4/h8-11,18,27H,7,12-15H2,1-4H3,(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	35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162749 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]thiazepan...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCSCC1C(=O)NO Show InChI InChI=1S/C16H20N2O5S2/c1-2-3-10-23-13-5-7-14(8-6-13)25(21,22)18-9-4-11-24-12-15(18)16(19)17-20/h5-8,15,20H,4,9-12H2,1H3,(H,17,19)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162739 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-1-ethyl-N-hydr...) Show SMILES CCN1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO Show InChI InChI=1S/C18H25N3O5S/c1-3-5-14-26-15-6-8-16(9-7-15)27(24,25)21-13-12-20(4-2)11-10-17(21)18(22)19-23/h6-9,17,23H,4,10-14H2,1-2H3,(H,19,22)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162737 (4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-10-12-21(13-11-20)32(29,30)26-15-7-14-25(18-22(26)23(27)24-28)17-19-8-5-4-6-9-19/h4-6,8-13,22,28H,7,14-18H2,1H3,(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	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162737 (4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-10-12-21(13-11-20)32(29,30)26-15-7-14-25(18-22(26)23(27)24-28)17-19-8-5-4-6-9-19/h4-6,8-13,22,28H,7,14-18H2,1H3,(H,24,27)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162743 (4-Benzoyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c1-2-3-16-32-19-10-12-20(13-11-19)33(30,31)26-15-7-14-25(17-21(26)22(27)24-29)23(28)18-8-5-4-6-9-18/h4-6,8-13,21,29H,7,14-17H2,1H3,(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	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162752 (4-Benzenesulfonyl-1-(4-but-2-ynyloxy-benzenesulfon...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H25N3O7S2/c1-2-3-16-32-18-10-12-20(13-11-18)34(30,31)25-15-7-14-24(17-21(25)22(26)23-27)33(28,29)19-8-5-4-6-9-19/h4-6,8-13,21,27H,7,14-17H2,1H3,(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	68	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162742 (4-(4-But-2-ynyloxy-benzenesulfonyl)-5-hydroxycarba...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H29N3O7S/c1-5-6-15-30-16-7-9-17(10-8-16)32(28,29)24-14-13-23(20(26)31-21(2,3)4)12-11-18(24)19(25)22-27/h7-10,18,27H,11-15H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162732 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(4-dimethyla...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)CCCN(C)C Show InChI InChI=1S/C22H32N4O6S/c1-4-5-16-32-18-9-11-19(12-10-18)33(30,31)26-15-7-14-25(17-20(26)22(28)23-29)21(27)8-6-13-24(2)3/h9-12,20,29H,6-8,13-17H2,1-3H3,(H,23,28)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162731 (1-Benzyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CCC1C(=O)NO Show InChI InChI=1S/C23H27N3O5S/c1-2-3-17-31-20-9-11-21(12-10-20)32(29,30)26-16-15-25(14-13-22(26)23(27)24-28)18-19-7-5-4-6-8-19/h4-12,22,28H,13-18H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162752 (4-Benzenesulfonyl-1-(4-but-2-ynyloxy-benzenesulfon...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H25N3O7S2/c1-2-3-16-32-18-10-12-20(13-11-18)34(30,31)25-15-7-14-24(17-21(25)22(26)23-27)33(28,29)19-8-5-4-6-9-19/h4-6,8-13,21,27H,7,14-17H2,1H3,(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	88	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162742 (4-(4-But-2-ynyloxy-benzenesulfonyl)-5-hydroxycarba...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H29N3O7S/c1-5-6-15-30-16-7-9-17(10-8-16)32(28,29)24-14-13-23(20(26)31-21(2,3)4)12-11-18(24)19(25)22-27/h7-10,18,27H,11-15H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162738 (1-Benzoyl-4-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O6S/c1-2-3-17-32-19-9-11-20(12-10-19)33(30,31)26-16-15-25(14-13-21(26)22(27)24-29)23(28)18-7-5-4-6-8-18/h4-12,21,29H,13-17H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162740 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	114	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162744 (1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-hydrox...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C17H23N3O7S2/c1-3-4-12-27-14-6-8-15(9-7-14)29(25,26)20-11-5-10-19(28(2,23)24)13-16(20)17(21)18-22/h6-9,16,22H,5,10-13H2,1-2H3,(H,18,21)	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	128	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162751 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(propane-1-s...) Show SMILES CCCS(=O)(=O)N1CCCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OCC#CC)cc1 Show InChI InChI=1S/C19H27N3O7S2/c1-3-5-13-29-16-7-9-17(10-8-16)31(27,28)22-12-6-11-21(30(25,26)14-4-2)15-18(22)19(23)20-24/h7-10,18,24H,4,6,11-15H2,1-2H3,(H,20,23)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162736 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-1-is...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCN(CCC1C(=O)NO)C(=O)C(C)C Show InChI InChI=1S/C20H27N3O6S/c1-4-5-14-29-16-6-8-17(9-7-16)30(27,28)23-13-12-22(20(25)15(2)3)11-10-18(23)19(24)21-26/h6-9,15,18,26H,10-14H2,1-3H3,(H,21,24)	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	142	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162729 (1-(4-But-2-ynyloxy-benzenesulfonyl)-4-(thiophene-2...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C21H23N3O6S2/c1-2-3-13-30-16-7-9-17(10-8-16)32(28,29)24-12-5-11-23(15-18(24)20(25)22-27)21(26)19-6-4-14-31-19/h4,6-10,14,18,27H,5,11-13,15H2,1H3,(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	142	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50162741 (4-(4-But-2-ynyloxy-benzenesulfonyl)-[1,4]thiazepan...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSCCC1C(=O)NO Show InChI InChI=1S/C16H20N2O5S2/c1-2-3-10-23-13-4-6-14(7-5-13)25(21,22)18-9-12-24-11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)	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	171	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 75 total )  |  Next  |  Last  >>

Jump to: