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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-K receptor' and Ligand = 'BDBM50074789'   
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))
BDBM50074789
PNG
(3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-...)
Show SMILES CC[C@@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O/c1-2-20(17-11-5-3-6-12-17)28-25(29)22-19-15-9-10-16-21(19)27-24(23(22)26)18-13-7-4-8-14-18/h3-16,20H,2,26H2,1H3,(H,28,29)/t20-/m1/s1
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1.20n/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))
BDBM50074789
PNG
(3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-...)
Show SMILES CC[C@@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O/c1-2-20(17-11-5-3-6-12-17)28-25(29)22-19-15-9-10-16-21(19)27-24(23(22)26)18-13-7-4-8-14-18/h3-16,20H,2,26H2,1H3,(H,28,29)/t20-/m1/s1
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Article
PubMed
2n/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