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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50414713'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414713
PNG
(CHEMBL553685)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H45N5O4S/c1-22(2)35-28-10-6-5-9-23(28)19-27(30(35)37)29(36)31-24-20-25-11-12-26(21-24)34(25)14-8-4-7-13-32-15-17-33(18-16-32)40(3,38)39/h5-6,9-10,19,22,24-26H,4,7-8,11-18,20-21H2,1-3H3,(H,31,36)/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50414713
PNG
(CHEMBL553685)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C30H45N5O4S/c1-22(2)35-28-10-6-5-9-23(28)19-27(30(35)37)29(36)31-24-20-25-11-12-26(21-24)34(25)14-8-4-7-13-32-15-17-33(18-16-32)40(3,38)39/h5-6,9-10,19,22,24-26H,4,7-8,11-18,20-21H2,1-3H3,(H,31,36)/t25-,26-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT4C receptor expressed in HEK293 cells assessed as acumulation of cAMP by flash plate adenylyl cyclase activation assay


J Med Chem 52: 5330-43 (2009)


Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH
More data for this
Ligand-Target Pair