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BDBM50222030 (1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9-[(1E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-furo[3,4-g]isoquinoline-6(3H)-carboxylic acid ethyl ester::CHEMBL410157

SMILES: CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1

InChI Key: InChIKey=AMIBKXTXGGNEFX-DDBJRRRUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222030   
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))
BDBM50222030
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)C1
Show InChI InChI=1S/C29H31F3N2O4/c1-3-37-28(36)34-12-11-23-20(16-34)14-25-26(17(2)38-27(25)35)24(23)10-9-22-8-7-19(15-33-22)18-5-4-6-21(13-18)29(30,31)32/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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