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BDBM50391068 CHEMBL2087334

SMILES: CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNS(C)(=O)=O)c1=O

InChI Key: InChIKey=HQAAHXXATSZWOJ-RKZNWXTNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50391068   
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))
BDBM50391068
PNG
(CHEMBL2087334)
Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNS(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:19.18|
Show InChI InChI=1S/C24H34N4O5S/c1-15(2)28-22-7-5-4-6-16(22)10-21(24(28)31)23(30)26-17-11-18-8-9-19(12-17)27(18)14-20(29)13-25-34(3,32)33/h4-7,10,15,17-20,25,29H,8-9,11-14H2,1-3H3,(H,26,30)/t17-,18+,19-,20?
UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/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: 6048-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.051
BindingDB Entry DOI: 10.7270/Q2X63P1X
More data for this
Ligand-Target Pair