Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50222039'   

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))	BDBM50222039 ((1R,3aR,4aS,8aS,9S,9aS)-phenylmethyl decahydro-1-m...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C34H33F3N2O4/c1-21-31-29(13-12-27-11-10-24(18-38-27)23-8-5-9-26(16-23)34(35,36)37)28-14-15-39(19-25(28)17-30(31)32(40)43-21)33(41)42-20-22-6-3-2-4-7-22/h2-13,16,18,21,25,28-31H,14-15,17,19-20H2,1H3/b13-12+/t21-,25-,28-,29+,30-,31+/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	25	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				J Med Chem 50: 5147-60 (2007) Article DOI: 10.1021/jm070704k BindingDB Entry DOI: 10.7270/Q2SN08PK
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