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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 = 'BDBM50412949'   
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))
BDBM50412949
PNG
(CHEMBL519790)
Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H21F2N3O/c27-18-7-3-5-16(13-18)24(15-11-12-15)31-26(32)22-20-9-1-2-10-21(20)30-25(23(22)29)17-6-4-8-19(28)14-17/h1-10,13-15,24H,11-12,29H2,(H,31,32)/t24-/m0/s1
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Article
PubMed
6.31n/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))
BDBM50412949
PNG
(CHEMBL519790)
Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H21F2N3O/c27-18-7-3-5-16(13-18)24(15-11-12-15)31-26(32)22-20-9-1-2-10-21(20)30-25(23(22)29)17-6-4-8-19(28)14-17/h1-10,13-15,24H,11-12,29H2,(H,31,32)/t24-/m0/s1
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antibodypedia
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PC sid
UniChem

Similars

Article
PubMed
6.31n/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