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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50074808'   
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))
BDBM50074808
PNG
(2-Phenyl-quinoline-4-carboxylic acid (2,2,2-triflu...)
Show SMILES FC(F)(F)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17F3N2O/c25-24(26,27)22(17-11-5-2-6-12-17)29-23(30)19-15-21(16-9-3-1-4-10-16)28-20-14-8-7-13-18(19)20/h1-15,22H,(H,29,30)
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454n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB


J Med Chem 42: 1053-65 (1999)


Article DOI: 10.1021/jm980633c
BindingDB Entry DOI: 10.7270/Q2F47PTQ
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50074808
PNG
(2-Phenyl-quinoline-4-carboxylic acid (2,2,2-triflu...)
Show SMILES FC(F)(F)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17F3N2O/c25-24(26,27)22(17-11-5-2-6-12-17)29-23(30)19-15-21(16-9-3-1-4-10-16)28-20-14-8-7-13-18(19)20/h1-15,22H,(H,29,30)
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501n/an/an/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting


J Med Chem 53: 8080-8 (2010)


Article DOI: 10.1021/jm1010012
BindingDB Entry DOI: 10.7270/Q2736R5F
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50074808
PNG
(2-Phenyl-quinoline-4-carboxylic acid (2,2,2-triflu...)
Show SMILES FC(F)(F)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17F3N2O/c25-24(26,27)22(17-11-5-2-6-12-17)29-23(30)19-15-21(16-9-3-1-4-10-16)28-20-14-8-7-13-18(19)20/h1-15,22H,(H,29,30)
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501n/an/an/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Binding affinity to human NK3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7405-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.014
BindingDB Entry DOI: 10.7270/Q2CC11Z5
More data for this
Ligand-Target Pair