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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 = 'BDBM50337405'   
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))
BDBM50337405
PNG
((1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2...)
Show SMILES CNC(=O)NC1(CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C32H36Cl2N4O2/c1-35-30(40)36-31(24-11-7-4-8-12-24)15-17-38(18-16-31)22-26-20-32(26,25-13-14-27(33)28(34)19-25)29(39)37(2)21-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20-22H2,1-2H3,(H2,35,36,40)/t26-,32+/m0/s1
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Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells


Bioorg Med Chem Lett 21: 1498-501 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.135
BindingDB Entry DOI: 10.7270/Q23J3D8R
More data for this
Ligand-Target Pair