Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50518997'   

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))	BDBM50518997 (CHEMBL4467703) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2cccc3c(C[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c23 |r| Show InChI InChI=1S/C39H44N10O8/c40-34(53)28-17-24-19-44-33-25(8-4-9-26(24)33)22-11-13-23(14-12-22)35(54)47-27(10-5-15-43-39(41)42)36(55)45-20-31(50)46-30(18-32(51)52)38(57)49-29(37(56)48-28)16-21-6-2-1-3-7-21/h1-4,6-9,11-14,19,27-30,44H,5,10,15-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,28+,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bielefeld University Curated by ChEMBL					Assay Description Inhibition of human fibronectin binding to human Integrin alpha2b beta3 receptor incubated for 1 hr by ELISA				J Med Chem 62: 7417-7430 (2019) Article DOI: 10.1021/acs.jmedchem.9b00360 BindingDB Entry DOI: 10.7270/Q2JQ14D7
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