Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50173409'   

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))	BDBM50173409 ((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-m-tol...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3)[C@H]12 Show InChI InChI=1S/C27H31NO2/c1-17-6-5-8-19(14-17)21-10-11-22(28-16-21)12-13-24-23-9-4-3-7-20(23)15-25-26(24)18(2)30-27(25)29/h5-6,8,10-14,16,18,20,23-26H,3-4,7,9,15H2,1-2H3/b13-12+/t18-,20+,23-,24+,25-,26+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand				J Med Chem 48: 5884-7 (2005) Article DOI: 10.1021/jm0502236 BindingDB Entry DOI: 10.7270/Q2V69J5Q
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