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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50062647   
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 factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50062647
PNG
(2-Butylamino-4-trifluoromethyl-pyrimidine-5-carbox...)
Show SMILES CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H15Cl2F3N4O/c1-2-3-4-22-15-23-8-12(13(25-15)16(19,20)21)14(26)24-11-6-9(17)5-10(18)7-11/h5-8H,2-4H2,1H3,(H,24,26)(H,22,23,25)
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))
BDBM50062647
PNG
(2-Butylamino-4-trifluoromethyl-pyrimidine-5-carbox...)
Show SMILES CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H15Cl2F3N4O/c1-2-3-4-22-15-23-8-12(13(25-15)16(19,20)21)14(26)24-11-6-9(17)5-10(18)7-11/h5-8H,2-4H2,1H3,(H,24,26)(H,22,23,25)
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