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BDBM50412948 CHEMBL480248

SMILES: CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1cccc(F)c1)S(C)(=O)=O

InChI Key: InChIKey=YFBSHPOZGNZJOC-MHZLTWQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412948   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50412948
PNG
(CHEMBL480248)
Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1cccc(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C29H27F2N3O3S/c1-34(38(2,36)37)17-24-26(29(35)33-27(18-13-14-18)19-7-5-9-21(30)15-19)23-11-3-4-12-25(23)32-28(24)20-8-6-10-22(31)16-20/h3-12,15-16,18,27H,13-14,17H2,1-2H3,(H,33,35)/t27-/m0/s1
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Similars

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