Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50075572'   

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))	BDBM50075572 ((S)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Dissociation constant for unactivated Fibrinogen Receptor				J Med Chem 42: 1178-92 (1999) Article DOI: 10.1021/jm980348t BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50075572 ((S)-3-{2-[(S)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C20H24N6O7S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)/t14-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Dissociation constant for activated Fibrinogen Receptor				J Med Chem 42: 1178-92 (1999) Article DOI: 10.1021/jm980348t BindingDB Entry DOI: 10.7270/Q2WD3ZQZ
					More data for this Ligand-Target Pair