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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 4 group A member 2' and Ligand = 'BDBM50517811'   
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
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517811
PNG
(CHEMBL4576867)
Show SMILES OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2


(Mus musculus)
BDBM50517811
PNG
(CHEMBL4576867)
Show SMILES OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN2O/c21-18-7-4-15(5-8-18)19-12-23-11-17(6-9-20(23)22-19)16-3-1-2-14(10-16)13-24/h1-12,24H,13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay


Bioorg Med Chem Lett 29: 929-932 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.024
BindingDB Entry DOI: 10.7270/Q2BG2SB9
More data for this
Ligand-Target Pair