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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50062646   
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 p105 subunit


(Homo sapiens (Human))
BDBM50062646
PNG
(2-Benzylamino-4-trifluoromethyl-pyrimidine-5-carbo...)
Show SMILES FC(F)(F)c1nc(NCc2ccccc2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-12-6-13(21)8-14(7-12)27-17(29)15-10-26-18(28-16(15)19(22,23)24)25-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,27,29)(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

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
Cyclic AMP-dependent transcription factor ATF-1


(Homo sapiens (Human))
BDBM50062646
PNG
(2-Benzylamino-4-trifluoromethyl-pyrimidine-5-carbo...)
Show SMILES FC(F)(F)c1nc(NCc2ccccc2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-12-6-13(21)8-14(7-12)27-17(29)15-10-26-18(28-16(15)19(22,23)24)25-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,27,29)(H,25,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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