Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50072501'   

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))	BDBM50072501 (CHEMBL420666 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(CCc1ccccc1)Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C29H29N5O4/c1-33-17-21-15-20(11-12-22(21)30-25(29(33)38)16-27(35)36)28(37)34(14-13-19-7-3-2-4-8-19)18-26-31-23-9-5-6-10-24(23)32-26/h2-12,15,25,30H,13-14,16-18H2,1H3,(H,31,32)(H,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50072501 (CHEMBL420666 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(CCc1ccccc1)Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C29H29N5O4/c1-33-17-21-15-20(11-12-22(21)30-25(29(33)38)16-27(35)36)28(37)34(14-13-19-7-3-2-4-8-19)18-26-31-23-9-5-6-10-24(23)32-26/h2-12,15,25,30H,13-14,16-18H2,1H3,(H,31,32)(H,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
					More data for this Ligand-Target Pair