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BDBM50212436 (3aR,4R,9aS,E)-7-fluoro-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one::CHEMBL232955

SMILES: Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3cc(F)ccc23)nc1

InChI Key: InChIKey=XHNCHWGKZZRYHX-SRFLYUCYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212436   
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))
BDBM50212436
PNG
((3aR,4R,9aS,E)-7-fluoro-4-(2-(5-(3-fluorophenyl)py...)
Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3Cc3cc(F)ccc23)nc1
Show InChI InChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60n/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