Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50072484'   

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))	BDBM50072484 (CHEMBL409241 | {(S)-7-[(1H-Indol-2-ylmethyl)-carba...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cc2ccccc2[nH]1 Show InChI InChI=1S/C22H22N4O4/c1-26-12-15-8-14(6-7-18(15)25-19(22(26)30)10-20(27)28)21(29)23-11-16-9-13-4-2-3-5-17(13)24-16/h2-9,19,24-25H,10-12H2,1H3,(H,23,29)(H,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
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