Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50519008'   

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))	BDBM50519008 (CHEMBL4462153) Show SMILES CN1[C@H](Cc2c[nH]c3cc(ccc23)-c2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O |r| Show InChI InChI=1S/C40H46N10O8/c1-50-32(35(41)54)18-26-20-45-29-17-25(13-14-27(26)29)23-9-11-24(12-10-23)36(55)48-28(8-5-15-44-40(42)43)37(56)46-21-33(51)47-30(19-34(52)53)38(57)49-31(39(50)58)16-22-6-3-2-4-7-22/h2-4,6-7,9-14,17,20,28,30-32,45H,5,8,15-16,18-19,21H2,1H3,(H2,41,54)(H,46,56)(H,47,51)(H,48,55)(H,49,57)(H,52,53)(H4,42,43,44)/t28-,30-,31-,32+/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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