BDBM50222042 (1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3H-thiopyrano-[3,4-f]isobenzofuran-3-one::CHEMBL244290

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

InChI Key: InChIKey=WXTSUIHQDZTKTM-RRVPNGAVSA-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 = 50222042   

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))	BDBM50222042 ((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-9-[(1E)...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CSCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 Show InChI InChI=1S/C26H26F3NO2S/c1-15-24-22(21-9-10-33-14-18(21)12-23(24)25(31)32-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	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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