Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'flannery' and Initial = 'cr'   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256157 (CHEMBL481894 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H18Cl2N2O3/c25-19-11-5-4-9-16(19)22(28-21(29)14-31-15-7-2-1-3-8-15)18-13-20(26)17-10-6-12-27-23(17)24(18)30/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256061 (CHEMBL482160 | GNF-Pf-4399 | N-((5-chloro-8-hydrox...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H18ClN3O5/c25-20-13-19(24(30)23-18(20)7-4-12-26-23)22(15-8-10-16(11-9-15)28(31)32)27-21(29)14-33-17-5-2-1-3-6-17/h1-13,22,30H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256102 (CHEMBL480567 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H18ClN3O5/c25-20-13-19(24(30)23-18(20)10-5-11-26-23)22(15-6-4-7-16(12-15)28(31)32)27-21(29)14-33-17-8-2-1-3-9-17/h1-13,22,30H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256700 (2-(N-methyl-N-phenylamino)-N-((5-chloro-8-hydroxyq...) Show SMILES CN(CC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1cc(Cl)c2cccnc2c1O)c1ccccc1 Show InChI InChI=1S/C25H21ClN4O4/c1-29(17-8-3-2-4-9-17)15-22(31)28-23(16-7-5-10-18(13-16)30(33)34)20-14-21(26)19-11-6-12-27-24(19)25(20)32/h2-14,23,32H,15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24019 (1-benzyl-5-methyl-5'-(4-methylphenyl)-1,2-dihydro-...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:8| Show InChI InChI=1S/C24H21N3OS/c1-16-8-11-19(12-9-16)22-25-26-24(29-22)20-14-17(2)10-13-21(20)27(23(24)28)15-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256062 (CHEMBL482170 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1cccc(F)c1 Show InChI InChI=1S/C24H18ClFN2O3/c25-20-13-19(24(30)23-18(20)10-5-11-27-23)22(15-6-4-7-16(26)12-15)28-21(29)14-31-17-8-2-1-3-9-17/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256160 (CHEMBL481896 | N-((5-bromo-8-hydroxyquinolin-7-yl)...) Show SMILES Oc1c(cc(Br)c2cccnc12)C(NC(=O)COc1ccccc1)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H18BrN3O5/c25-20-13-19(24(30)23-18(20)10-5-11-26-23)22(15-6-4-7-16(12-15)28(31)32)27-21(29)14-33-17-8-2-1-3-9-17/h1-13,22,30H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24008 (1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9| Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256005 (2-(benzyloxy)-N-((5-chloro-8-hydroxyquinolin-7-yl)...) Show SMILES Cc1ccc(cc1)C(NC(=O)COCc1ccccc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C26H23ClN2O3/c1-17-9-11-19(12-10-17)24(29-23(30)16-32-15-18-6-3-2-4-7-18)21-14-22(27)20-8-5-13-28-25(20)26(21)31/h2-14,24,31H,15-16H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50255999 (CHEMBL474607 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Cc1ccc(cc1)C(NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)23(28-22(29)15-31-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256312 (2-(p-tolyloxy)-N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES COc1ccc(cc1)C(NC(=O)COc1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C26H23ClN2O4/c1-16-5-9-19(10-6-16)33-15-23(30)29-24(17-7-11-18(32-2)12-8-17)21-14-22(27)20-4-3-13-28-25(20)26(21)31/h3-14,24,31H,15H2,1-2H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256660 (2-(N-methyl-N-phenylamino)-N-((5-chloro-8-hydroxyq...) Show SMILES CN(CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 Show InChI InChI=1S/C26H24ClN3O2/c1-17-10-12-18(13-11-17)24(29-23(31)16-30(2)19-7-4-3-5-8-19)21-15-22(27)20-9-6-14-28-25(20)26(21)32/h3-15,24,32H,16H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24006 (5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50255970 (CHEMBL482073 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H19ClN2O3/c25-20-14-19(24(29)23-18(20)12-7-13-26-23)22(16-8-3-1-4-9-16)27-21(28)15-30-17-10-5-2-6-11-17/h1-14,22,29H,15H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256214 (CHEMBL514963 | N-((5-bromo-8-hydroxyquinolin-7-yl)...) Show SMILES Oc1c(cc(Br)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H18BrClN2O3/c25-19-13-18(24(30)23-16(19)10-6-12-27-23)22(17-9-4-5-11-20(17)26)28-21(29)14-31-15-7-2-1-3-8-15/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256701 (2-(N-benzyl-N-methylamino)-N-((5-chloro-8-hydroxyq...) Show SMILES CN(CC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1 Show InChI InChI=1S/C26H23ClN4O4/c1-30(15-17-7-3-2-4-8-17)16-23(32)29-24(18-9-5-10-19(13-18)31(34)35)21-14-22(27)20-11-6-12-28-25(20)26(21)33/h2-14,24,33H,15-16H2,1H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256063 (2-(benzyloxy)-N-((5-chloro-8-hydroxyquinolin-7-yl)...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COCc1ccccc1)c1cccc(F)c1 Show InChI InChI=1S/C25H20ClFN2O3/c26-21-13-20(25(31)24-19(21)10-5-11-28-24)23(17-8-4-9-18(27)12-17)29-22(30)15-32-14-16-6-2-1-3-7-16/h1-13,23,31H,14-15H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256060 (CHEMBL481506 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2N2O3/c25-16-10-8-15(9-11-16)22(28-21(29)14-31-17-5-2-1-3-6-17)19-13-20(26)18-7-4-12-27-23(18)24(19)30/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256105 (CHEMBL482362 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H18ClF3N2O3/c26-20-13-18(24(33)23-17(20)10-6-12-30-23)22(16-9-4-5-11-19(16)25(27,28)29)31-21(32)14-34-15-7-2-1-3-8-15/h1-13,22,33H,14H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24007 (1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9| Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24009 (5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9| Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202179 (2-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...) Show SMILES OC(=O)C(N1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O)c1ccccc1 |w:3.3| Show InChI InChI=1S/C32H25NO5S2/c34-30-28(40-32(39)33(30)29(31(35)36)25-14-8-3-9-15-25)19-24-16-17-26(37-20-22-10-4-1-5-11-22)27(18-24)38-21-23-12-6-2-7-13-23/h1-19,29H,20-21H2,(H,35,36)/b28-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256313 (2-(4-methoxyphenoxy)-N-((5-chloro-8-hydroxyquinoli...) Show SMILES COc1ccc(OCC(=O)NC(c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2O)cc1 Show InChI InChI=1S/C26H23ClN2O5/c1-32-17-7-5-16(6-8-17)24(21-14-22(27)20-4-3-13-28-25(20)26(21)31)29-23(30)15-34-19-11-9-18(33-2)10-12-19/h3-14,24,31H,15H2,1-2H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256215 (CHEMBL475265 | N-((2-chlorophenyl)(8-hydroxy-5-nit...) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1Cl Show InChI InChI=1S/C24H18ClN3O5/c25-19-11-5-4-9-16(19)22(27-21(29)14-33-15-7-2-1-3-8-15)18-13-20(28(31)32)17-10-6-12-26-23(17)24(18)30/h1-13,22,30H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24022 (1-benzyl-5'-(4-methoxyphenyl)-5-methyl-6-propyl-1,...) Show SMILES CCCc1cc2N(Cc3ccccc3)C(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2cc1C |c:19| Show InChI InChI=1S/C27H27N3O2S/c1-4-8-21-16-24-23(15-18(21)2)27(26(31)30(24)17-19-9-6-5-7-10-19)29-28-25(33-27)20-11-13-22(32-3)14-12-20/h5-7,9-16,29H,4,8,17H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50255973 (CHEMBL475436 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES CN(CC(=O)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O)c1ccccc1 Show InChI InChI=1S/C25H21Cl2N3O2/c1-30(16-8-3-2-4-9-16)15-22(31)29-23(17-10-5-6-12-20(17)26)19-14-21(27)18-11-7-13-28-24(18)25(19)32/h2-14,23,32H,15H2,1H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256059 (CHEMBL481505 | GNF-PF-3875 | N-((5-chloro-8-hydrox...) Show SMILES COc1ccc(cc1)C(NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C25H21ClN2O4/c1-31-17-11-9-16(10-12-17)23(28-22(29)15-32-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256611 (2-(4-cyanophenylamino)-N-((5-chloro-8-hydroxyquino...) Show SMILES Cc1ccc(cc1)C(NC(=O)CNc1ccc(cc1)C#N)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C26H21ClN4O2/c1-16-4-8-18(9-5-16)24(21-13-22(27)20-3-2-12-29-25(20)26(21)33)31-23(32)15-30-19-10-6-17(14-28)7-11-19/h2-13,24,30,33H,15H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256499 (2-(4-chlorophenoxy)-N-((5-chloro-8-hydroxyquinolin...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C24H18Cl2N2O3/c25-16-8-10-17(11-9-16)31-14-21(29)28-22(15-5-2-1-3-6-15)19-13-20(26)18-7-4-12-27-23(18)24(19)30/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256662 (2-(4-acetylphenylamino)-N-((5-chloro-8-hydroxyquin...) Show SMILES CC(=O)c1ccc(NCC(=O)NC(c2cccc(c2)[N+]([O-])=O)c2cc(Cl)c3cccnc3c2O)cc1 Show InChI InChI=1S/C26H21ClN4O5/c1-15(32)16-7-9-18(10-8-16)29-14-23(33)30-24(17-4-2-5-19(12-17)31(35)36)21-13-22(27)20-6-3-11-28-25(20)26(21)34/h2-13,24,29,34H,14H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202169 ((R)-2-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-t...) Show SMILES CC(C)[C@@H](N1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O)C(O)=O Show InChI InChI=1S/C29H27NO5S2/c1-19(2)26(28(32)33)30-27(31)25(37-29(30)36)16-22-13-14-23(34-17-20-9-5-3-6-10-20)24(15-22)35-18-21-11-7-4-8-12-21/h3-16,19,26H,17-18H2,1-2H3,(H,32,33)/b25-16+/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202186 ((Z)-5-((5-(4-chlorobenzylthio)-1-methyl-3-(trifluo...) Show SMILES Cn1nc(c(C=C2SC(S)=NC2=O)c1SCc1ccc(Cl)cc1)C(F)(F)F |w:5.4,c:9| Show InChI InChI=1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-2-4-9(17)5-3-8)10(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 17: 1189-92 (2007) Article DOI: 10.1016/j.bmcl.2006.12.020 BindingDB Entry DOI: 10.7270/Q2JW8DK5
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256610 (2-(4-acetylphenylamino)-N-((5-chloro-8-hydroxyquin...) Show SMILES CC(=O)c1ccc(NCC(=O)NC(c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)cc1 Show InChI InChI=1S/C27H24ClN3O3/c1-16-5-7-19(8-6-16)25(22-14-23(28)21-4-3-13-29-26(21)27(22)34)31-24(33)15-30-20-11-9-18(10-12-20)17(2)32/h3-14,25,30,34H,15H2,1-2H3,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256698 (2-(4-chloro-3-methylphenylamino)-N-((5-chloro-8-hy...) Show SMILES Cc1cc(NCC(=O)NC(c2cccc(c2)[N+]([O-])=O)c2cc(Cl)c3cccnc3c2O)ccc1Cl Show InChI InChI=1S/C25H20Cl2N4O4/c1-14-10-16(7-8-20(14)26)29-13-22(32)30-23(15-4-2-5-17(11-15)31(34)35)19-12-21(27)18-6-3-9-28-24(18)25(19)33/h2-12,23,29,33H,13H2,1H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24013 (6-chloro-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(Cl)ccc21 |t:9| Show InChI InChI=1S/C16H12ClN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-7-4-10(17)8-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24018 (5-methyl-1-(2-methylphenyl)-5'-(4-methylphenyl)-1,...) Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:8| Show InChI InChI=1S/C24H21N3OS/c1-15-8-11-18(12-9-15)22-25-26-24(29-22)19-14-16(2)10-13-21(19)27(23(24)28)20-7-5-4-6-17(20)3/h4-14,26H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256158 (CHEMBL519950 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C24H18ClN3O5/c25-19-13-18(24(30)23-16(19)10-6-12-26-23)22(17-9-4-5-11-20(17)28(31)32)27-21(29)14-33-15-7-2-1-3-8-15/h1-13,22,30H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256103 (CHEMBL482360 | N-((5-chloro-8-hydroxyquinolin-7-yl...) Show SMILES Oc1c(cc(Cl)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1F Show InChI InChI=1S/C24H18ClFN2O3/c25-19-13-18(24(30)23-16(19)10-6-12-27-23)22(17-9-4-5-11-20(17)26)28-21(29)14-31-15-7-2-1-3-8-15/h1-13,22,30H,14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256740 (2-(N-methyl-N-phenylamino)-N-((5-chloro-8-hydroxyq...) Show SMILES CN(CC(=O)NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 Show InChI InChI=1S/C25H21ClFN3O2/c1-30(18-9-3-2-4-10-18)15-22(31)29-23(16-7-5-8-17(27)13-16)20-14-21(26)19-11-6-12-28-24(19)25(20)32/h2-14,23,32H,15H2,1H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256661 (2-(benzyl(methyl)amino)-N-((5-chloro-8-hydroxyquin...) Show SMILES CN(CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1 Show InChI InChI=1S/C27H26ClN3O2/c1-18-10-12-20(13-11-18)25(22-15-23(28)21-9-6-14-29-26(21)27(22)33)30-24(32)17-31(2)16-19-7-4-3-5-8-19/h3-15,25,33H,16-17H2,1-2H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202174 ((R)-2-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-t...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)N1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C33H27NO5S2/c35-31-30(41-33(40)34(31)27(32(36)37)18-23-10-4-1-5-11-23)20-26-16-17-28(38-21-24-12-6-2-7-13-24)29(19-26)39-22-25-14-8-3-9-15-25/h1-17,19-20,27H,18,21-22H2,(H,36,37)/b30-20+/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202164 (2-(5-(3-(3,4-dichlorophenoxy)benzylidene)-4-oxo-2-...) Show SMILES OC(=O)C(N1C(=S)S\C(=C\c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)C1=O)c1ccccc1 |w:3.3| Show InChI InChI=1S/C24H15Cl2NO4S2/c25-18-10-9-17(13-19(18)26)31-16-8-4-5-14(11-16)12-20-22(28)27(24(32)33-20)21(23(29)30)15-6-2-1-3-7-15/h1-13,21H,(H,29,30)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50255974 (2-(benzyl(methyl)amino)-N-((5-chloro-8-hydroxyquin...) Show SMILES CN(CC(=O)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1 Show InChI InChI=1S/C26H23Cl2N3O2/c1-31(15-17-8-3-2-4-9-17)16-23(32)30-24(18-10-5-6-12-21(18)27)20-14-22(28)19-11-7-13-29-25(19)26(20)33/h2-14,24,33H,15-16H2,1H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256216 (CHEMBL475770 | N-((8-hydroxy-5-methylquinolin-7-yl...) Show SMILES Cc1cc(C(NC(=O)COc2ccccc2)c2cccc(c2)[N+]([O-])=O)c(O)c2ncccc12 Show InChI InChI=1S/C25H21N3O5/c1-16-13-21(25(30)24-20(16)11-6-12-26-24)23(17-7-5-8-18(14-17)28(31)32)27-22(29)15-33-19-9-3-2-4-10-19/h2-14,23,30H,15H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50256500 (2-(3-(dimethylamino)phenoxy)-N-((5-chloro-8-hydrox...) Show SMILES CN(C)c1cccc(OCC(=O)NC(c2cccc(F)c2)c2cc(Cl)c3cccnc3c2O)c1 Show InChI InChI=1S/C26H23ClFN3O3/c1-31(2)18-8-4-9-19(13-18)34-15-23(32)30-24(16-6-3-7-17(28)12-16)21-14-22(27)20-10-5-11-29-25(20)26(21)33/h3-14,24,33H,15H2,1-2H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50255969 (CHEMBL521273 | N-((8-hydroxy-5-nitroquinolin-7-yl)...) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(NC(=O)COc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c28-21(15-32-17-10-5-2-6-11-17)26-22(16-8-3-1-4-9-16)19-14-20(27(30)31)18-12-7-13-25-23(18)24(19)29/h1-14,22,29H,15H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5 by FRET assay				Bioorg Med Chem Lett 18: 6454-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.065 BindingDB Entry DOI: 10.7270/Q25H7G34
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24004 (5-ethyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro...) Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2c1 |c:11| Show InChI InChI=1S/C18H17N3O2S/c1-3-11-4-9-15-14(10-11)18(17(22)19-15)21-20-16(24-18)12-5-7-13(23-2)8-6-12/h4-10,21H,3H2,1-2H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24012 (5'-(4-methoxyphenyl)-6-methyl-1,2-dihydro-3'H-spir...) Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(C)ccc21 |t:9| Show InChI InChI=1S/C17H15N3O2S/c1-10-3-8-13-14(9-10)18-16(21)17(13)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50202149 (5-(3,5-bis(benzyloxy)benzylidene)-2-thioxothiazoli...) Show SMILES SC1=NC(=O)C(S1)=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 |w:7.8,t:1| Show InChI InChI=1S/C24H19NO3S2/c26-23-22(30-24(29)25-23)13-19-11-20(27-15-17-7-3-1-4-8-17)14-21(12-19)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM24001 (5'-(4-methylphenyl)-6-propyl-1,2-dihydro-3'H-spiro...) Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(C)cc2)c1 |c:14| Show InChI InChI=1S/C19H19N3OS/c1-3-4-13-7-10-15-16(11-13)20-18(23)19(15)22-21-17(24-19)14-8-5-12(2)6-9-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...				Bioorg Med Chem Lett 17: 5630-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.048 BindingDB Entry DOI: 10.7270/Q2H993G9
					More data for this Ligand-Target Pair

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