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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 = 'BDBM50030774'   
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))
BDBM50030774
PNG
(CHEMBL3342379)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.350n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50030774
PNG
(CHEMBL3342379)
Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(n1)-c1ccccn1
Show InChI InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/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