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BDBM50212429 (3aR,4R,9aS,E)-4-(2-(5-(3-(trifluoromethyl)phenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one::CHEMBL234190

SMILES: FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1

InChI Key: InChIKey=PBRFZUOCABCOOY-DJJNJRNKSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212429   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50212429
PNG
((3aR,4R,9aS,E)-4-(2-(5-(3-(trifluoromethyl)phenyl)...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3ccccc23)nc1
Show InChI InChI=1S/C26H20F3NO2/c27-26(28,29)19-6-3-5-16(12-19)18-8-9-20(30-14-18)10-11-22-21-7-2-1-4-17(21)13-23-24(22)15-32-25(23)31/h1-12,14,22-24H,13,15H2/b11-10+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1


Bioorg Med Chem Lett 17: 3647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.061
BindingDB Entry DOI: 10.7270/Q2JH3KV4
More data for this
Ligand-Target Pair