Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006346'   

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))	BDBM50006346 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...) Show SMILES CC(C)C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C23H38N8O10S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-42(41)10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t12-,13-,14-,15-,42?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006346 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...) Show SMILES CC(C)C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C23H38N8O10S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-42(41)10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t12-,13-,14-,15-,42?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of Fibrinogen binding to Fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50006346 (6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...) Show SMILES CC(C)C[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C23H38N8O10S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-42(41)10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t12-,13-,14-,15-,42?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair