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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 = 'BDBM50030769'   
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))
BDBM50030769
PNG
(CHEMBL3342363)
Show SMILES C(Nc1cc(ncn1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C13H14N4/c1-2-6-14-11(3-1)12-7-13(17-9-16-12)15-8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+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)
BDBM50030769
PNG
(CHEMBL3342363)
Show SMILES C(Nc1cc(ncn1)-c1ccccn1)C1CC1
Show InChI InChI=1S/C13H14N4/c1-2-6-14-11(3-1)12-7-13(17-9-16-12)15-8-10-4-5-10/h1-3,6-7,9-10H,4-5,8H2,(H,15,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/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