Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50104598'   

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))	BDBM50104598 (2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...) Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of thrombin-induced human gel-filtered platelet aggregation				Bioorg Med Chem Lett 11: 2619-22 (2001) BindingDB Entry DOI: 10.7270/Q2DB8141
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50104598 (2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...) Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa				Bioorg Med Chem Lett 11: 2619-22 (2001) BindingDB Entry DOI: 10.7270/Q2DB8141
					More data for this Ligand-Target Pair