Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50143858'   

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))	BDBM50143858 (5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2-oxo-1,3,8...) Show SMILES CN1C(=O)N(CC11CCN(CC1)C(=O)CC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H31N5O4/c1-29-25(35)31(21-9-7-19(8-10-21)24(27)28)17-26(29)11-13-30(14-12-26)22(32)15-20(16-23(33)34)18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H3,27,28)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50143858 (5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2-oxo-1,3,8...) Show SMILES CN1C(=O)N(CC11CCN(CC1)C(=O)CC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H31N5O4/c1-29-25(35)31(21-9-7-19(8-10-21)24(27)28)17-26(29)11-13-30(14-12-26)22(32)15-20(16-23(33)34)18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H3,27,28)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair