Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50318878'   

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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50318878 ((S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES COc1cc(ccc1N1CCC(CC1)NC1=NCCCN1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O |r,t:17| Show InChI InChI=1S/C26H34N6O6S/c1-38-23-16-18(8-9-22(23)32-14-10-19(11-15-32)30-26-27-12-5-13-28-26)24(33)29-17-21(25(34)35)31-39(36,37)20-6-3-2-4-7-20/h2-4,6-9,16,19,21,31H,5,10-15,17H2,1H3,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alphaVbeta3				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50318878 ((S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES COc1cc(ccc1N1CCC(CC1)NC1=NCCCN1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O |r,t:17| Show InChI InChI=1S/C26H34N6O6S/c1-38-23-16-18(8-9-22(23)32-14-10-19(11-15-32)30-26-27-12-5-13-28-26)24(33)29-17-21(25(34)35)31-39(36,37)20-6-3-2-4-7-20/h2-4,6-9,16,19,21,31H,5,10-15,17H2,1H3,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta3 integrin receptor				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50318878 ((S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin...) Show SMILES COc1cc(ccc1N1CCC(CC1)NC1=NCCCN1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O |r,t:17| Show InChI InChI=1S/C26H34N6O6S/c1-38-23-16-18(8-9-22(23)32-14-10-19(11-15-32)30-26-27-12-5-13-28-26)24(33)29-17-21(25(34)35)31-39(36,37)20-6-3-2-4-7-20/h2-4,6-9,16,19,21,31H,5,10-15,17H2,1H3,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at alphavbeta3 integrin receptor human VSMC assessed as inhibition of vitronectin-induced cell adhesion				J Med Chem 54: 1539-54 (2011) Article DOI: 10.1021/jm101356p BindingDB Entry DOI: 10.7270/Q27S7P30
					More data for this Ligand-Target Pair