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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 = 'BDBM50083179'   
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


(RAT)
BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor


Bioorg Med Chem Lett 6: 1195-1198 (1996)


Article DOI: 10.1016/0960-894X(96)00200-4
BindingDB Entry DOI: 10.7270/Q23J3DGF
More data for this
Ligand-Target Pair