Compile Data Set for Download or QSAR

Found 403 hits of ic50 data for polymerid = 3073   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136286 ((3R,4S)-1-(Furan-2-carbonyl)-piperidine-3,4-dicarb...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)c3ccco3)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6/c1-18-15-19(22-5-2-3-6-25(22)30-18)17-39-21-10-8-20(9-11-21)31-27(34)23-12-13-33(16-24(23)28(35)32-37)29(36)26-7-4-14-38-26/h2-11,14-15,23-24,37H,12-13,16-17H2,1H3,(H,31,34)(H,32,35)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0660	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50229322 ((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136266 ((3R,4S)-1-Isobutyryl-piperidine-3,4-dicarboxylic a...) Show SMILES CC(C)C(=O)N1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)Nc1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H32N4O5/c1-17(2)28(35)32-13-12-23(24(15-32)27(34)31-36)26(33)30-20-8-10-21(11-9-20)37-16-19-14-18(3)29-25-7-5-4-6-22(19)25/h4-11,14,17,23-24,36H,12-13,15-16H2,1-3H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136270 ((3R,4S)-1-Butyryl-piperidine-3,4-dicarboxylic acid...) Show SMILES CCCC(=O)N1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)Nc1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H32N4O5/c1-3-6-26(33)32-14-13-23(24(16-32)28(35)31-36)27(34)30-20-9-11-21(12-10-20)37-17-19-15-18(2)29-25-8-5-4-7-22(19)25/h4-5,7-12,15,23-24,36H,3,6,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136285 ((3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin...) Show SMILES COC(=O)N1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)Nc1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H28N4O6/c1-16-13-17(20-5-3-4-6-23(20)27-16)15-36-19-9-7-18(8-10-19)28-24(31)21-11-12-30(26(33)35-2)14-22(21)25(32)29-34/h3-10,13,21-22,34H,11-12,14-15H2,1-2H3,(H,28,31)(H,29,32)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136283 ((3R,4S)-1-(Furan-2-carbonyl)-piperidine-3,4-dicarb...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CN(CC[C@@H]3C(=O)NO)C(=O)c3ccco3)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H28N4O6/c1-18-15-19(22-5-2-3-6-25(22)30-18)17-39-21-10-8-20(9-11-21)31-27(34)24-16-33(13-12-23(24)28(35)32-37)29(36)26-7-4-14-38-26/h2-11,14-15,23-24,37H,12-13,16-17H2,1H3,(H,31,34)(H,32,35)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136261 ((3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)OCc3cscn3)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H29N5O6S/c1-18-12-19(23-4-2-3-5-26(23)31-18)14-39-22-8-6-20(7-9-22)32-27(35)24-10-11-34(13-25(24)28(36)33-38)29(37)40-15-21-16-41-17-30-21/h2-9,12,16-17,24-25,38H,10-11,13-15H2,1H3,(H,32,35)(H,33,36)/t24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136275 ((3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)OCc3nccs3)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H29N5O6S/c1-18-14-19(22-4-2-3-5-25(22)31-18)16-39-21-8-6-20(7-9-21)32-27(35)23-10-12-34(15-24(23)28(36)33-38)29(37)40-17-26-30-11-13-41-26/h2-9,11,13-14,23-24,38H,10,12,15-17H2,1H3,(H,32,35)(H,33,36)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136262 ((3R,4S)-1-(1-Methyl-1H-imidazole-4-sulfonyl)-piper...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)S(=O)(=O)c3cn(C)cn3)cc2)c2ccccc2n1 Show InChI InChI=1S/C28H30N6O6S/c1-18-13-19(22-5-3-4-6-25(22)30-18)16-40-21-9-7-20(8-10-21)31-27(35)23-11-12-34(14-24(23)28(36)32-37)41(38,39)26-15-33(2)17-29-26/h3-10,13,15,17,23-24,37H,11-12,14,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50371344 (CHEMBL403401) Show SMILES CC(C)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C26H30N4O4/c1-16(2)30-13-22(26(32)29-33)24(14-30)28-25(31)18-8-10-20(11-9-18)34-15-19-12-17(3)27-23-7-5-4-6-21(19)23/h4-12,16,22,24,33H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136263 ((3R,4S)-Piperidine-1,3,4-tricarboxylic acid 1-tert...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)NC(C)(C)C)cc2)c2ccccc2n1 Show InChI InChI=1S/C29H35N5O5/c1-18-15-19(22-7-5-6-8-25(22)30-18)17-39-21-11-9-20(10-12-21)31-26(35)23-13-14-34(16-24(23)27(36)33-38)28(37)32-29(2,3)4/h5-12,15,23-24,38H,13-14,16-17H2,1-4H3,(H,31,35)(H,32,37)(H,33,36)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136279 ((3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin...) Show SMILES CC(C)OC(=O)N1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)Nc1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H32N4O6/c1-17(2)38-28(35)32-13-12-23(24(15-32)27(34)31-36)26(33)30-20-8-10-21(11-9-20)37-16-19-14-18(3)29-25-7-5-4-6-22(19)25/h4-11,14,17,23-24,36H,12-13,15-16H2,1-3H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136269 ((3R,4S)-1-Cyclopropanecarbonyl-piperidine-3,4-dica...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)C3CC3)cc2)c2ccccc2n1 Show InChI InChI=1S/C28H30N4O5/c1-17-14-19(22-4-2-3-5-25(22)29-17)16-37-21-10-8-20(9-11-21)30-26(33)23-12-13-32(28(35)18-6-7-18)15-24(23)27(34)31-36/h2-5,8-11,14,18,23-24,36H,6-7,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136268 ((3R,4S)-1-Methanesulfonyl-piperidine-3,4-dicarboxy...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)S(C)(=O)=O)cc2)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O6S/c1-16-13-17(20-5-3-4-6-23(20)26-16)15-35-19-9-7-18(8-10-19)27-24(30)21-11-12-29(36(2,33)34)14-22(21)25(31)28-32/h3-10,13,21-22,32H,11-12,14-15H2,1-2H3,(H,27,30)(H,28,31)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136273 ((3R,4S)-1-Thiazol-2-ylmethyl-piperidine-3,4-dicarb...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CN(Cc4nccs4)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Show InChI InChI=1S/C28H29N5O4S/c1-18-14-19(22-4-2-3-5-25(22)30-18)17-37-21-8-6-20(7-9-21)31-27(34)24-15-33(16-26-29-11-13-38-26)12-10-23(24)28(35)32-36/h2-9,11,13-14,23-24,36H,10,12,15-17H2,1H3,(H,31,34)(H,32,35)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136274 ((3R,4S)-1-(Furan-2-carbonyl)-piperidine-3,4-dicarb...) Show SMILES ONC(=O)[C@H]1CN(CC[C@@H]1C(=O)Nc1ccc(COc2ccnc3ccccc23)cc1)C(=O)c1ccco1 Show InChI InChI=1S/C28H26N4O6/c33-26(20-12-14-32(16-22(20)27(34)31-36)28(35)25-6-3-15-37-25)30-19-9-7-18(8-10-19)17-38-24-11-13-29-23-5-2-1-4-21(23)24/h1-11,13,15,20,22,36H,12,14,16-17H2,(H,30,33)(H,31,34)/t20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152922 (CHEMBL184302 | N-Hydroxy-2-{1-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N2O5S/c1-18-14-19(22-6-2-3-7-23(22)26-18)16-32-20-8-10-21(11-9-20)33(30,31)17-25(12-4-5-13-25)15-24(28)27-29/h2-3,6-11,14,29H,4-5,12-13,15-17H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50136288 ((3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin...) Show SMILES Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)OC3CC3)cc2)c2ccccc2n1 Show InChI InChI=1S/C28H30N4O6/c1-17-14-18(22-4-2-3-5-25(22)29-17)16-37-20-8-6-19(7-9-20)30-26(33)23-12-13-32(15-24(23)27(34)31-36)28(35)38-21-10-11-21/h2-9,14,21,23-24,36H,10-13,15-16H2,1H3,(H,30,33)(H,31,34)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against porcine TACE				Bioorg Med Chem Lett 13: 4299-304 (2003) BindingDB Entry DOI: 10.7270/Q2PG1R4X
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50371342 (CHEMBL270800) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC=C)C[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C26H28N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h3-11,13,22,24,33H,1,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 18: 694-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.059 BindingDB Entry DOI: 10.7270/Q2BV7HGG
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152906 (CHEMBL364589 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCN2)c2ccccc2n1 Show InChI InChI=1S/C24H27N3O5S/c1-17-13-18(21-5-2-3-6-22(21)26-17)15-32-19-7-9-20(10-8-19)33(30,31)16-24(11-4-12-25-24)14-23(28)27-29/h2-3,5-10,13,25,29H,4,11-12,14-16H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152914 (1-Ethynyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-ben...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CCC2C(=O)NO)C#C)c2ccccc2n1 Show InChI InChI=1S/C26H27N3O5S/c1-3-29-13-12-24(26(30)28-31)20(15-29)17-35(32,33)22-10-8-21(9-11-22)34-16-19-14-18(2)27-25-7-5-4-6-23(19)25/h1,4-11,14,20,24,31H,12-13,15-17H2,2H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152917 (CHEMBL361376 | N-Hydroxy-2-{3-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)COC2)c2ccccc2n1 Show InChI InChI=1S/C23H24N2O6S/c1-16-10-17(20-4-2-3-5-21(20)24-16)12-31-18-6-8-19(9-7-18)32(28,29)15-23(13-30-14-23)11-22(26)25-27/h2-10,27H,11-15H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152932 (CHEMBL183868 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCO2)c2ccccc2n1 Show InChI InChI=1S/C24H26N2O6S/c1-17-13-18(21-5-2-3-6-22(21)25-17)15-31-19-7-9-20(10-8-19)33(29,30)16-24(11-4-12-32-24)14-23(27)26-28/h2-3,5-10,13,28H,4,11-12,14-16H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26561 ((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...) Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26563 ((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...) Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26565 ((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...) Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26568 ((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...) Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26570 ((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r| Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26789 (benzimidazole analog., 15 | tert-butyl (3S,4S)-3-(...) Show SMILES CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31N5O5S/c1-26(2,3)36-25(34)30-14-18(23(33)29-35)20(15-30)27-22(32)17-11-9-16(10-12-17)13-31-21-8-6-5-7-19(21)28-24(31)37-4/h5-12,18,20,35H,13-15H2,1-4H3,(H,27,32)(H,29,33)/t18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26791 (benzimidazole analog., 17 | tert-butyl (3S,4S)-3-(...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C26H31N5O5/c1-16-27-20-7-5-6-8-22(20)31(16)13-17-9-11-18(12-10-17)23(32)28-21-15-30(14-19(21)24(33)29-35)25(34)36-26(2,3)4/h5-12,19,21,35H,13-15H2,1-4H3,(H,28,32)(H,29,33)/t19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26793 (benzimidazole analog., 19 | tert-butyl (3S,4S)-3-(...) Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H35N5O5/c1-17(2)24-29-21-8-6-7-9-23(21)33(24)14-18-10-12-19(13-11-18)25(34)30-22-16-32(15-20(22)26(35)31-37)27(36)38-28(3,4)5/h6-13,17,20,22,37H,14-16H2,1-5H3,(H,30,34)(H,31,35)/t20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26795 (N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-...) Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C24H28N4O3/c1-15(2)22-25-20-7-3-4-9-21(20)28(22)14-16-10-12-17(13-11-16)23(29)26-19-8-5-6-18(19)24(30)27-31/h3-4,7,9-13,15,18-19,31H,5-6,8,14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26802 ((5R,7R,8S)-7-N-(4-{[2-(2-fluoropropan-2-yl)-1H-1,3...) Show SMILES CC(C)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO |r| Show InChI InChI=1S/C27H31FN4O4/c1-26(2,28)25-30-20-6-3-4-7-22(20)32(25)16-17-8-10-18(11-9-17)23(33)29-21-15-27(12-5-13-36-27)14-19(21)24(34)31-35/h3-4,6-11,19,21,35H,5,12-16H2,1-2H3,(H,29,33)(H,31,34)/t19-,21+,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26807 ((3R,4S)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)-1...) Show SMILES ONC(=O)[C@H]1COC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H19F3N4O4/c22-21(23,24)20-26-15-3-1-2-4-17(15)28(20)9-12-5-7-13(8-6-12)18(29)25-16-11-32-10-14(16)19(30)27-31/h1-8,14,16,31H,9-11H2,(H,25,29)(H,27,30)/t14-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1577-82 (2008) Article DOI: 10.1016/j.bmcl.2008.01.075 BindingDB Entry DOI: 10.7270/Q2GM85NS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26808 ((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1 |r| Show InChI InChI=1S/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1288-92 (2008) Article DOI: 10.1016/j.bmcl.2008.01.030 BindingDB Entry DOI: 10.7270/Q2BV7DX2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26809 ((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1288-92 (2008) Article DOI: 10.1016/j.bmcl.2008.01.030 BindingDB Entry DOI: 10.7270/Q2BV7DX2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26810 ((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1 |r| Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1288-92 (2008) Article DOI: 10.1016/j.bmcl.2008.01.030 BindingDB Entry DOI: 10.7270/Q2BV7DX2
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152910 (1-Butyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...) Show SMILES CCCCN1CCC(C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1)C(=O)NO Show InChI InChI=1S/C28H35N3O5S/c1-3-4-14-31-15-13-26(28(32)30-33)22(17-31)19-37(34,35)24-11-9-23(10-12-24)36-18-21-16-20(2)29-27-8-6-5-7-25(21)27/h5-12,16,22,26,33H,3-4,13-15,17-19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152926 (2-[4-(2-Methyl-quinolin-4-ylmethoxy)-benzenesulfon...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2NCCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H25N3O5S/c1-15-12-16(19-4-2-3-5-21(19)25-15)13-31-17-6-8-18(9-7-17)32(29,30)14-22-20(10-11-24-22)23(27)26-28/h2-9,12,20,22,24,28H,10-11,13-14H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152901 (1-Methyl-2-[4-(2-methyl-quinolin-4-ylmethoxy)-benz...) Show SMILES CN1CCC(C1CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO Show InChI InChI=1S/C24H27N3O5S/c1-16-13-17(20-5-3-4-6-22(20)25-16)14-32-18-7-9-19(10-8-18)33(30,31)15-23-21(24(28)26-29)11-12-27(23)2/h3-10,13,21,23,29H,11-12,14-15H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152902 (CHEMBL185397 | N-Hydroxy-2-{4-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H28N2O6S/c1-18-14-19(22-4-2-3-5-23(22)26-18)16-33-20-6-8-21(9-7-20)34(30,31)17-25(15-24(28)27-29)10-12-32-13-11-25/h2-9,14,29H,10-13,15-17H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152928 (CHEMBL365905 | N-Hydroxy-2-{1-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C26H30N2O5S/c1-19-15-20(23-7-3-4-8-24(23)27-19)17-33-21-9-11-22(12-10-21)34(31,32)18-26(16-25(29)28-30)13-5-2-6-14-26/h3-4,7-12,15,30H,2,5-6,13-14,16-18H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152912 (1-sec-Butyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-b...) Show SMILES CCC(C)N1CCC(C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1)C(=O)NO Show InChI InChI=1S/C28H35N3O5S/c1-4-20(3)31-14-13-26(28(32)30-33)22(16-31)18-37(34,35)24-11-9-23(10-12-24)36-17-21-15-19(2)29-27-8-6-5-7-25(21)27/h5-12,15,20,22,26,33H,4,13-14,16-18H2,1-3H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152915 (CHEMBL185321 | N-Hydroxy-2-{2-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCCCN2)c2ccccc2n1 Show InChI InChI=1S/C25H29N3O5S/c1-18-14-19(22-6-2-3-7-23(22)27-18)16-33-20-8-10-21(11-9-20)34(31,32)17-25(15-24(29)28-30)12-4-5-13-26-25/h2-3,6-11,14,26,30H,4-5,12-13,15-17H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152907 (2-[4-(2-Methyl-quinolin-4-ylmethoxy)-benzenesulfon...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2NCCCC2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H27N3O5S/c1-16-13-17(20-5-2-3-7-22(20)26-16)14-32-18-8-10-19(11-9-18)33(30,31)15-23-21(24(28)27-29)6-4-12-25-23/h2-3,5,7-11,13,21,23,25,29H,4,6,12,14-15H2,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50152933 (CHEMBL364875 | N-Hydroxy-2-{1-[4-(2-methyl-quinoli...) Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2(CC(=O)NO)CCC2)c2ccccc2n1 Show InChI InChI=1S/C24H26N2O5S/c1-17-13-18(21-5-2-3-6-22(21)25-17)15-31-19-7-9-20(10-8-19)32(29,30)16-24(11-4-12-24)14-23(27)26-28/h2-3,5-10,13,28H,4,11-12,14-16H2,1H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)				Bioorg Med Chem Lett 14: 4453-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.049 BindingDB Entry DOI: 10.7270/Q2NV9HRM
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50204396 ((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H24N4O3/c1-14-10-17(18-4-2-3-5-20(18)25-14)11-15-6-8-16(9-7-15)22(28)26-21-13-24-12-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50204404 ((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-((2-m...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C28H32N4O5/c1-17-13-20(21-7-5-6-8-23(21)29-17)14-18-9-11-19(12-10-18)25(33)30-24-16-32(15-22(24)26(34)31-36)27(35)37-28(2,3)4/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM50204408 ((3R,4R)-N-hydroxy-4-(4-((2-isopropylquinolin-4-yl)...) Show SMILES CC(C)c1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C26H29N3O4/c1-16(2)24-14-19(20-5-3-4-6-22(20)27-24)13-17-7-9-18(10-8-17)25(30)28-23-11-12-33-15-21(23)26(31)29-32/h3-10,14,16,21,23,32H,11-13,15H2,1-2H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair

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