Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50006323'   

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))	BDBM50006323 (CHEMBL302646 | [3-Carbamoyl-12-(3-guanidino-propyl...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H37N9O10S/c27-22(41)18-11-46(45)12-20(38)33-16(8-13-3-5-14(36)6-4-13)24(43)34-15(2-1-7-30-26(28)29)23(42)31-10-19(37)32-17(9-21(39)40)25(44)35-18/h3-6,15-18,36H,1-2,7-12H2,(H2,27,41)(H,31,42)(H,32,37)(H,33,38)(H,34,43)(H,35,44)(H,39,40)(H4,28,29,30)/t15-,16-,17-,18-,46?/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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				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))	BDBM50006323 (CHEMBL302646 | [3-Carbamoyl-12-(3-guanidino-propyl...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O Show InChI InChI=1S/C26H37N9O10S/c27-22(41)18-11-46(45)12-20(38)33-16(8-13-3-5-14(36)6-4-13)24(43)34-15(2-1-7-30-26(28)29)23(42)31-10-19(37)32-17(9-21(39)40)25(44)35-18/h3-6,15-18,36H,1-2,7-12H2,(H2,27,41)(H,31,42)(H,32,37)(H,33,38)(H,34,43)(H,35,44)(H,39,40)(H4,28,29,30)/t15-,16-,17-,18-,46?/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair