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BDBM50222023 CHEMBL389382::ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E)-2-[5-(2-methylphenyl)-2-pyridinyl]ethenyl]-decahydro-6-methyl-8-oxofuro[3,4-g]quinoline-1(2H)-carboxylate

SMILES: CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1ccccc1C

InChI Key: InChIKey=HJBJWUJDVYEQFK-FZVWNVEHSA-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 = 50222023   
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))
BDBM50222023
PNG
(CHEMBL389382 | ethyl (4aS,5S,5aS,6R,8aR,9aS)-5-[(E...)
Show SMILES CCOC(=O)N1CCC[C@@H]2[C@@H]1C[C@@H]1[C@@H]([C@@H](C)OC1=O)[C@H]2\C=C\c1ccc(cn1)-c1ccccc1C
Show InChI InChI=1S/C29H34N2O4/c1-4-34-29(33)31-15-7-10-23-24(27-19(3)35-28(32)25(27)16-26(23)31)14-13-21-12-11-20(17-30-21)22-9-6-5-8-18(22)2/h5-6,8-9,11-14,17,19,23-27H,4,7,10,15-16H2,1-3H3/b14-13+/t19-,23+,24+,25-,26+,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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