Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50179567'   

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))	BDBM50179567 ((+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-hydroxyquinoli...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc4cc(O)ccc4n3)[C@H]12 Show InChI InChI=1S/C24H27NO3/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-8-17-7-6-16-12-18(26)9-11-22(16)25-17/h6-12,14-15,19-21,23,26H,2-5,13H2,1H3/b10-8+/t14-,15+,19-,20+,21-,23+/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	6.30	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 in human platelet membrane				Bioorg Med Chem Lett 16: 1544-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.042 BindingDB Entry DOI: 10.7270/Q2KH0MXM
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