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BDBM50062652 2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-methyl-amide::CHEMBL337516

SMILES: CN(C(=O)c1cnc(Cl)nc1C(F)(F)F)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=JWEDZQKRKLRVCT-UHFFFAOYSA-N

Data: 2 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 = 50062652   
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
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062652
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES CN(C(=O)c1cnc(Cl)nc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H7Cl3F3N3O/c1-22(8-3-6(14)2-7(15)4-8)11(23)9-5-20-12(16)21-10(9)13(17,18)19/h2-5H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair
Activating transcription factor 1


(Homo sapiens (Human))
BDBM50062652
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES CN(C(=O)c1cnc(Cl)nc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H7Cl3F3N3O/c1-22(8-3-6(14)2-7(15)4-8)11(23)9-5-20-12(16)21-10(9)13(17,18)19/h2-5H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1


J Med Chem 41: 413-9 (1998)


Article DOI: 10.1021/jm970671g
BindingDB Entry DOI: 10.7270/Q2P55MMZ
More data for this
Ligand-Target Pair