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BDBM50388643 CHEMBL2059562

InChI string: InChI=1S/C19H17ClN2O4S2/c1-14-2-9-18(10-3-14)28(25,26)21(12-15-4-6-16(20)7-5-15)13-17-8-11-19(27-17)22(23)24/h2-11H,12-13H2,1H3

SMILES: Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=HKZKLXUDMJXMKU-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388643   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388643
PNG
(CHEMBL2059562)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN2O4S2/c1-14-2-9-18(10-3-14)28(25,26)21(12-15-4-6-16(20)7-5-15)13-17-8-11-19(27-17)22(23)24/h2-11H,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)

More data for this
Ligand-Target Pair