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BDBM50212447 (3aR,4R,9aS,E)-8-chloro-4-(2-(5-(3-(trifluoromethyl)phenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one::CHEMBL400435

SMILES: FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(Cl)cccc23)nc1

InChI Key: InChIKey=NDEUAIZNHGVTBW-AEXASODUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212447   
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))
BDBM50212447
PNG
((3aR,4R,9aS,E)-8-chloro-4-(2-(5-(3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3c(Cl)cccc23)nc1
Show InChI InChI=1S/C26H19ClF3NO2/c27-24-6-2-5-19-20(23-14-33-25(32)22(23)12-21(19)24)10-9-18-8-7-16(13-31-18)15-3-1-4-17(11-15)26(28,29)30/h1-11,13,20,22-23H,12,14H2/b10-9+/t20-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 225n/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