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BDBM50388701 CHEMBL2059584

SMILES: CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12

InChI Key: InChIKey=OEAJJYGHOQHLLC-LGKQTMLJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388701   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))		BDBM50388701
PNG
(CHEMBL2059584)
Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
Show InChI InChI=1S/C31H50N6O3S/c1-23(2)37-29-11-7-6-10-28(29)30(34-37)31(38)33-25-20-26-12-13-27(21-25)36(26)17-9-5-4-8-16-35-18-14-24(15-19-35)22-32-41(3,39)40/h6-7,10-11,23-27,32H,4-5,8-9,12-22H2,1-3H3,(H,33,38)/t25-,26+,27-
UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
PubMed
 1.58n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells

Bioorg Med Chem Lett 22: 4849-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF
More data for this
Ligand-Target Pair