BDBM50202065 (3R,3aS,4S,4aS,8S,8aS,9aR)-decahydro-8-hydroxy-3-methyl-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-naphtho[2,3-c]furan-1(3H)-one::CHEMBL218726

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3[C@@H](O)CCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12

InChI Key: InChIKey=KAJYQUVFKMZXJZ-GKHUHNDBSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202065   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50202065 ((3R,3aS,4S,4aS,8S,8aS,9aR)-decahydro-8-hydroxy-3-m...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3[C@@H](O)CCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 |r| Show InChI InChI=1S/C27H28F3NO3/c1-15-25-21(20-6-3-7-24(32)22(20)13-23(25)26(33)34-15)11-10-19-9-8-17(14-31-19)16-4-2-5-18(12-16)27(28,29)30/h2,4-5,8-12,14-15,20-25,32H,3,6-7,13H2,1H3/b11-10+/t15-,20+,21+,22+,23-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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: 129-38 (2007) Article DOI: 10.1021/jm061043e BindingDB Entry DOI: 10.7270/Q22V2FS9
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