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SMILES: COc1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C

InChI Key: InChIKey=HNPLGOVWPYYKGI-CMDGGOBGSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260346   
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))		BDBM50260346
PNG
(CHEMBL4095336)
Show SMILES COc1nccc(n1)N(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)CC(C)(C)C
Show InChI InChI=1S/C30H45N5O/c1-30(2,3)24-35(28-14-17-31-29(32-28)36-4)23-26-12-10-25(11-13-26)9-8-18-33-21-15-27(16-22-33)34-19-6-5-7-20-34/h8-14,17,27H,5-7,15-16,18-24H2,1-4H3/b9-8+
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PubMed
n/an/a 700n/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