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BDBM50062655 2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3-butylcarbamoyl-5-trifluoromethyl-phenyl)-amide::CHEMBL132257

SMILES: CCCCNC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F

InChI Key: InChIKey=MOKNGVJROBEXLK-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 = 50062655   
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))
BDBM50062655
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES CCCCNC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF6N4O2/c1-2-3-4-26-14(30)9-5-10(17(20,21)22)7-11(6-9)28-15(31)12-8-27-16(19)29-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,26,30)(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50062655
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES CCCCNC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF6N4O2/c1-2-3-4-26-14(30)9-5-10(17(20,21)22)7-11(6-9)28-15(31)12-8-27-16(19)29-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,26,30)(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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