Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50098968'   

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))	BDBM50098968 (3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...) Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of immobilized HUVEC adhesion on fibrinogen				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098968 (3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...) Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair