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BDBM50260342 CHEMBL4066364

SMILES: CN(C)c1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C

InChI Key: InChIKey=RKRJQFHTDJAFLJ-MDZDMXLPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260342   
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
G-protein coupled receptor 4


(Homo sapiens (Human))
BDBM50260342
PNG
(CHEMBL4066364)
Show SMILES CN(C)c1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C31H48N6/c1-31(2,3)25-37(29-15-18-32-30(33-29)34(4)5)24-27-13-11-26(12-14-27)10-9-19-35-22-16-28(17-23-35)36-20-7-6-8-21-36/h9-15,18,28H,6-8,16-17,19-25H2,1-5H3/b10-9+
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Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mi...


Bioorg Med Chem 25: 4512-4525 (2017)


Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3
More data for this
Ligand-Target Pair