BDBM50202081 (-)-(3R,3aS,4S,4aR,6R,8aS,9aR)-decahydro-6-hydroxy-3-methyl-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-naphtho[2,3-c]f uran-1(3H)-one::CHEMBL218168

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

InChI Key: InChIKey=ZHSRVZDAVAHNCD-QNSWIDGTSA-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 = 50202081   

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))	BDBM50202081 ((-)-(3R,3aS,4S,4aR,6R,8aS,9aR)-decahydro-6-hydroxy...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 |r| Show InChI InChI=1S/C27H28F3NO3/c1-15-25-22(23-13-21(32)9-6-17(23)12-24(25)26(33)34-15)10-8-20-7-5-18(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-5,7-8,10-11,14-15,17,21-25,32H,6,9,12-13H2,1H3/b10-8+/t15-,17+,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	481	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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