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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thyrotropin-releasing hormone receptor' and Ligand = 'BDBM50231569'   
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
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50231569
PNG
(Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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KEGG

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MCE
PC cid
PC sid
UniChem

Similars

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



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity was measured on TRH receptor using [3H]- MeTRH as radioligand.


J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair