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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 = 'BDBM50081401'   
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))
BDBM50081401
PNG
(CHEMBL3422001)
Show SMILES Cc1ccc(nc1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN5O/c1-12-2-7-15(20-10-12)17-22-21-16-11-23(8-9-24(16)17)18(25)13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50081401
PNG
(CHEMBL3422001)
Show SMILES Cc1ccc(nc1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN5O/c1-12-2-7-15(20-10-12)17-22-21-16-11-23(8-9-24(16)17)18(25)13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...


J Med Chem 58: 3060-82 (2015)


Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC
More data for this
Ligand-Target Pair