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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 = 'BDBM50517822'   
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


(Mus musculus)
BDBM50517822
PNG
(CHEMBL4450849)
Show SMILES O=C(Nc1ccon1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5O2/c22-16(19-14-6-8-23-20-14)13-10-21-9-11(4-5-15(21)18-13)12-3-1-2-7-17-12/h1-10H,(H,19,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/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
Nuclear receptor subfamily 4 group A member 2


(Homo sapiens (Human))
BDBM50517822
PNG
(CHEMBL4450849)
Show SMILES O=C(Nc1ccon1)c1cn2cc(ccc2n1)-c1ccccn1
Show InChI InChI=1S/C16H11N5O2/c22-16(19-14-6-8-23-20-14)13-10-21-9-11(4-5-15(21)18-13)12-3-1-2-7-17-12/h1-10H,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/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