BDBM50222020 (1R,3aR,4aS,8aS,9S,9aS)-6-acetyl-decahydro-1-methyl-9-[(e)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]furo[3,4-g]-isoquinolin-3(1H)-one::CHEMBL244108

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(C)=O

InChI Key: InChIKey=GEWVWJQBDDWAEJ-GDGGNXDNSA-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 = 50222020   

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))	BDBM50222020 ((1R,3aR,4aS,8aS,9S,9aS)-6-acetyl-decahydro-1-methy...) 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(C)=O Show InChI InChI=1S/C28H29F3N2O3/c1-16-26-24(23-10-11-33(17(2)34)15-20(23)13-25(26)27(35)36-16)9-8-22-7-6-19(14-32-22)18-4-3-5-21(12-18)28(29,30)31/h3-9,12,14,16,20,23-26H,10-11,13,15H2,1-2H3/b9-8+/t16-,20-,23-,24+,25-,26+/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	550	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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