Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]   (259/260 > 99%)† (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0600	-57.8	n/a	n/a	n/a	n/a	n/a	7.3	22
Schering-Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				Bioorg Med Chem Lett 19: 54-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.034 BindingDB Entry DOI: 10.7270/Q2JH3JH7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (109/112 = 97%)† (Sus scrofa (pig))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (109/112 = 97%)† (Sus scrofa (pig))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (257/260 = 99%)† (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE in human whole blood assay				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (257/260 = 99%)† (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 pTACE				Bioorg Med Chem Lett 17: 2769-74 (2007) Article DOI: 10.1016/j.bmcl.2007.02.076 BindingDB Entry DOI: 10.7270/Q2ZC82J4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (257/260 = 99%)† (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (109/112 = 97%)† (Sus scrofa (pig))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Affinity for Tumor necrosis factor alpha converting enzyme (TACE)				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair				3D Structure (crystal)
Disintegrin and metalloproteinase domain-containing protein 17   (257/260 = 99%)† (Homo sapiens (Human))	BDBM26526 ((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...) Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay				J Med Chem 45: 4954-7 (2002) BindingDB Entry DOI: 10.7270/Q2XP7497
					More data for this Ligand-Target Pair				3D Structure (crystal)

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