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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 39' and Ligand = 'BDBM50030768'   
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
G-protein coupled receptor 39


(Homo sapiens (Human))
BDBM50030768
PNG
(CHEMBL3342364)
Show SMILES CN(C)c1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C15H19N5/c1-20(2)15-18-13(12-5-3-4-8-16-12)9-14(19-15)17-10-11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Mus musculus)
BDBM50030768
PNG
(CHEMBL3342364)
Show SMILES CN(C)c1nc(NCC2CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C15H19N5/c1-20(2)15-18-13(12-5-3-4-8-16-12)9-14(19-15)17-10-11-6-7-11/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.72E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay


ACS Med Chem Lett 5: 1114-8 (2014)


Article DOI: 10.1021/ml500240d
BindingDB Entry DOI: 10.7270/Q2MC91MW
More data for this
Ligand-Target Pair