Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50078444'   

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))	BDBM50078444 ((S)-2-(4-Chloro-benzenesulfonylamino)-3-{[5-(2-pip...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN3O5S3/c24-16-2-5-18(6-3-16)35(31,32)27-19(22(29)30)13-26-21(28)20-12-15-11-17(33-23(15)34-20)4-1-14-7-9-25-10-8-14/h2-3,5-6,11-12,14,19,25,27H,1,4,7-10,13H2,(H,26,28)(H,29,30)/t19-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50078444 ((S)-2-(4-Chloro-benzenesulfonylamino)-3-{[5-(2-pip...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(CCC3CCNCC3)sc2s1)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN3O5S3/c24-16-2-5-18(6-3-16)35(31,32)27-19(22(29)30)13-26-21(28)20-12-15-11-17(33-23(15)34-20)4-1-14-7-9-25-10-8-14/h2-3,5-6,11-12,14,19,25,27H,1,4,7-10,13H2,(H,26,28)(H,29,30)/t19-/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	0.0260	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry				J Med Chem 42: 2409-21 (1999) Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X
					More data for this Ligand-Target Pair