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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 = 'BDBM50074801'   
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))
BDBM50074801
PNG
(3-Phenyl-3-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)CC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
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PubMed
973n/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))
BDBM50074801
PNG
(3-Phenyl-3-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)CC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
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1.00E+3n/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))
BDBM50074801
PNG
(3-Phenyl-3-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)CC(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-31-25(29)17-24(19-12-6-3-7-13-19)28-26(30)21-16-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(21)22/h2-16,24H,17H2,1H3,(H,28,30)
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1.00E+3n/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