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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 = 'BDBM50412946'   
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))
BDBM50412946
PNG
(CHEMBL517691)
Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1F)-c1ccccc1 |r|
Show InChI InChI=1S/C26H22FN3O/c27-20-12-6-4-10-18(20)24(17-14-15-17)30-26(31)22-19-11-5-7-13-21(19)29-25(23(22)28)16-8-2-1-3-9-16/h1-13,17,24H,14-15,28H2,(H,30,31)/t24-/m0/s1
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Article
PubMed
5.01n/an/an/an/an/an/an/an/a



Neuroscience CEDD GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to NK3 receptor


Bioorg Med Chem Lett 19: 837-40 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50412946
PNG
(CHEMBL517691)
Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1F)-c1ccccc1 |r|
Show InChI InChI=1S/C26H22FN3O/c27-20-12-6-4-10-18(20)24(17-14-15-17)30-26(31)22-19-11-5-7-13-21(19)29-25(23(22)28)16-8-2-1-3-9-16/h1-13,17,24H,14-15,28H2,(H,30,31)/t24-/m0/s1
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UniChem

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Article
PubMed
5.01n/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