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BDBM50525572 CH-223191::CHEMBL1743245

SMILES: Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1

InChI Key: InChIKey=LKTNEXPODAWWFM-GHVJWSGMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50525572   
Target/Host
(Institution)
LigandTarget/Host
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50525572
PNG
(CH-223191 | CHEMBL1743245)
Show SMILES Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1
Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 2.43E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Danio rerio)
BDBM50525572
PNG
(CH-223191 | CHEMBL1743245)
Show SMILES Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1
Show InChI InChI=1S/C19H19N5O/c1-13-6-4-5-7-17(13)23-22-15-8-9-16(14(2)12-15)21-19(25)18-10-11-20-24(18)3/h4-12H,1-3H3,(H,21,25)/b23-22+
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.030
More data for this
Ligand-Target Pair