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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50318923'   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50318923
PNG
(2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...)
Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCC[C@@H]1CO |r|
Show InChI InChI=1S/C29H28ClF6N3O2/c1-27(2,17-11-18(28(31,32)33)13-19(12-17)29(34,35)36)26(41)38(3)24-15-37-25(39-10-6-7-20(39)16-40)14-22(24)21-8-4-5-9-23(21)30/h4-5,8-9,11-15,20,40H,6-7,10,16H2,1-3H3/t20-/m1/s1
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Similars

Article
PubMed
7.27n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells


Bioorg Med Chem Lett 20: 3405-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.008
BindingDB Entry DOI: 10.7270/Q2S75GHK
More data for this
Ligand-Target Pair