BDBM50202072 (3R,3aS,4S,4aS,8aS,9aR)-8,8-difluoro-decahydro-3-methyl-4-[(E)-2-[ 5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]naphtho[2,3-c]furan-1(3H)-one::CHEMBL218000

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@H]3[C@@H](CCCC3(F)F)[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12

InChI Key: InChIKey=ZNXZCDDODDAFRO-KPKJRISBSA-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 = 50202072   

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))	BDBM50202072 ((3R,3aS,4S,4aS,8aS,9aR)-8,8-difluoro-decahydro-3-m...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@H]3[C@@H](CCCC3(F)F)[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 |r| Show InChI InChI=1S/C27H26F5NO2/c1-15-24-21(20-6-3-11-26(28,29)23(20)13-22(24)25(34)35-15)10-9-19-8-7-17(14-33-19)16-4-2-5-18(12-16)27(30,31)32/h2,4-5,7-10,12,14-15,20-24H,3,6,11,13H2,1H3/b10-9+/t15-,20+,21+,22-,23+,24+/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	53	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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