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BDBM50499435 CHEMBL3741703

SMILES: CC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12

InChI Key: InChIKey=MTJZVMDAUOIACH-UHFFFAOYSA-N

Data: 1 EC50

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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 = 50499435   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))		BDBM50499435
PNG
(CHEMBL3741703)
Show SMILES CC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12
Show InChI InChI=1S/C22H31FN4O2/c1-16(2)20-25-19(18-5-3-4-10-27(18)20)21(28)24-17-6-11-26(12-7-17)15-22(23)8-13-29-14-9-22/h3-5,10,16-17H,6-9,11-15H2,1-2H3,(H,24,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 196n/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP level after 4 hrs by luciferase reporter gene assay

Eur J Med Chem 103: 289-301 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.051
BindingDB Entry DOI: 10.7270/Q20C4ZST
More data for this
Ligand-Target Pair