Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50285199'   

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))	BDBM50285199 (CHEMBL65617 | DMP-757 | [(5S,11S,14S)-11-(3-Guanid...) Show SMILES CC(C)[C@@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2 Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)34(3)18(8-5-9-29-26(27)28)24(40)31-13-19(35)32-17(11-20(36)37)23(39)30-12-15-6-4-7-16(10-15)22(38)33-21/h4,6-7,10,14,17-18,21H,5,8-9,11-13H2,1-3H3,(H,30,39)(H,31,40)(H,32,35)(H,33,38)(H,36,37)(H4,27,28,29)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of platelet aggregation using human platelet rich plasma (hPRP) assay (200microL, 2-3 x 10e 8 platelets/mL, n=1)				Bioorg Med Chem Lett 5: 2097-2100 (1995) Article DOI: 10.1016/0960-894X(95)00351-S BindingDB Entry DOI: 10.7270/Q28G8KNH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50285199 (CHEMBL65617 | DMP-757 | [(5S,11S,14S)-11-(3-Guanid...) Show SMILES CC(C)[C@@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2 Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)34(3)18(8-5-9-29-26(27)28)24(40)31-13-19(35)32-17(11-20(36)37)23(39)30-12-15-6-4-7-16(10-15)22(38)33-21/h4,6-7,10,14,17-18,21H,5,8-9,11-13H2,1-3H3,(H,30,39)(H,31,40)(H,32,35)(H,33,38)(H,36,37)(H4,27,28,29)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of platelet aggregation in vitro using fibrinogen binding assay				Bioorg Med Chem Lett 5: 2097-2100 (1995) Article DOI: 10.1016/0960-894X(95)00351-S BindingDB Entry DOI: 10.7270/Q28G8KNH
					More data for this Ligand-Target Pair