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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 = 'BDBM50081231'   
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))
BDBM50081231
PNG
(CHEMBL3421986)
Show SMILES COc1cccc(c1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
Show InChI InChI=1S/C18H17N5O2/c1-25-14-6-4-5-13(11-14)18(24)22-9-10-23-16(12-22)20-21-17(23)15-7-2-3-8-19-15/h2-8,11H,9-10,12H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
<3.16E+4n/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))
BDBM50081231
PNG
(CHEMBL3421986)
Show SMILES COc1cccc(c1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
Show InChI InChI=1S/C18H17N5O2/c1-25-14-6-4-5-13(11-14)18(24)22-9-10-23-16(12-22)20-21-17(23)15-7-2-3-8-19-15/h2-8,11H,9-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<3.16E+4n/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