Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50212445'   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50212445 ((3aS,4S,9aR,E)-4-(2-(6-methoxyquinolin-2-yl)vinyl)...) Show SMILES COc1ccc2nc(\C=C\[C@H]3[C@@H]4COC(=O)[C@@H]4Cc4ccccc34)ccc2c1 Show InChI InChI=1S/C24H21NO3/c1-27-18-9-11-23-16(12-18)6-7-17(25-23)8-10-20-19-5-3-2-4-15(19)13-21-22(20)14-28-24(21)26/h2-12,20-22H,13-14H2,1H3/b10-8+/t20-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]haTRAP from PAR1				Bioorg Med Chem Lett 17: 3647-51 (2007) Article DOI: 10.1016/j.bmcl.2007.04.061 BindingDB Entry DOI: 10.7270/Q2JH3KV4
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