Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50034687'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50034687 (CHEMBL40646 | [3-(2-tert-Butoxycarbonylamino-6-iso...) Show SMILES CC(C)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NC12CC3CC(CC(C3)(C1)NCC(O)=O)C2 |TLB:19:20:25:22.27.23,23:24:28:22.21.27,THB:21:20:25:22.27.23,21:22:20.28.34:25,23:22:28:24.34.25| Show InChI InChI=1S/C26H46N4O5/c1-17(2)27-9-7-6-8-20(29-23(34)35-24(3,4)5)22(33)30-26-13-18-10-19(14-26)12-25(11-18,16-26)28-15-21(31)32/h17-20,27-28H,6-16H2,1-5H3,(H,29,34)(H,30,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to isolated integrin alphaIIb-beta3 at 50 uM.				J Med Chem 38: 1582-92 (1995) BindingDB Entry DOI: 10.7270/Q2GB233R
					More data for this Ligand-Target Pair