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BDBM50222019 (1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-fluorophenyl)-2-pyridinyl]ethenyl]-decahydro-1-methyl-3H-furo[3,4-g][2]benzopyran-3-one::CHEMBL387603

SMILES: C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12

InChI Key: InChIKey=YWNFFAWWVXOKPA-CEBWBDALSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50222019   
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))
BDBM50222019
PNG
((1R,3aR,4aS,8aS,9S,9aS)-9-[(E)-2-[5-(2-fluoropheny...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3COCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3ccccc3F)[C@H]12
Show InChI InChI=1S/C25H26FNO3/c1-15-24-21(19-10-11-29-14-17(19)12-22(24)25(28)30-15)9-8-18-7-6-16(13-27-18)20-4-2-3-5-23(20)26/h2-9,13,15,17,19,21-22,24H,10-12,14H2,1H3/b9-8+/t15-,17-,19-,21+,22-,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/an/a 25n/an/an/an/an/an/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
More data for this
Ligand-Target Pair