Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50003852'   

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))	BDBM50003852 ((4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-ace...) Show SMILES CN(CC(=O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O8/c1-24(21(30)13-4-2-12(3-5-13)20(22)23)9-15(25)14-6-7-16(31-10-18(26)27)17(8-14)32-11-19(28)29/h2-8H,9-11H2,1H3,(H3,22,23)(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of FG binding to alpha IIb beta3 integrin				J Med Chem 39: 3139-47 (1996) Article DOI: 10.1021/jm9509298 BindingDB Entry DOI: 10.7270/Q2GT5M7Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003852 ((4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-ace...) Show SMILES CN(CC(=O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O8/c1-24(21(30)13-4-2-12(3-5-13)20(22)23)9-15(25)14-6-7-16(31-10-18(26)27)17(8-14)32-11-19(28)29/h2-8H,9-11H2,1H3,(H3,22,23)(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to platelet glycoprotein alpha IIb beta-3 integrin in ELISA				Bioorg Med Chem Lett 8: 1531-6 (1998) BindingDB Entry DOI: 10.7270/Q21838P3
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50003852 ((4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-ace...) Show SMILES CN(CC(=O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O8/c1-24(21(30)13-4-2-12(3-5-13)20(22)23)9-15(25)14-6-7-16(31-10-18(26)27)17(8-14)32-11-19(28)29/h2-8H,9-11H2,1H3,(H3,22,23)(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair