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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 = 'BDBM50412950'   
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))
BDBM50412950
PNG
(CHEMBL479450)
Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22FN3O/c1-2-20(16-8-4-3-5-9-16)29-25(30)22-19-10-6-7-11-21(19)28-24(23(22)27)17-12-14-18(26)15-13-17/h3-15,20H,2,27H2,1H3,(H,29,30)/t20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
7.94n/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))
BDBM50412950
PNG
(CHEMBL479450)
Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22FN3O/c1-2-20(16-8-4-3-5-9-16)29-25(30)22-19-10-6-7-11-21(19)28-24(23(22)27)17-12-14-18(26)15-13-17/h3-15,20H,2,27H2,1H3,(H,29,30)/t20-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94n/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