Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50145523'   

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))	BDBM50145523 ((S)-5-Oxo-5-{4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CCC(=O)N1CCN(CC1)c1cccc(NC2=NCCCN2)c1)C(O)=O |t:32| Show InChI InChI=1S/C28H38N6O5S/c1-19-16-20(2)26(21(3)17-19)40(38,39)32-24(27(36)37)8-9-25(35)34-14-12-33(13-15-34)23-7-4-6-22(18-23)31-28-29-10-5-11-30-28/h4,6-7,16-18,24,32H,5,8-15H2,1-3H3,(H,36,37)(H2,29,30,31)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity was determined against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 14: 2567-70 (2004) Article DOI: 10.1016/j.bmcl.2004.02.075 BindingDB Entry DOI: 10.7270/Q2445KWT
					More data for this Ligand-Target Pair