BDBM50062656 3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbonyl)-amino]-5-trifluoromethyl-benzoic acid octyl ester::CHEMBL337482

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

InChI Key: InChIKey=GGQDFJNNPVHTIK-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 = 50062656   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Activating transcription factor 1 (Homo sapiens (Human))	BDBM50062656 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H22ClF6N3O3/c1-2-3-4-5-6-7-8-35-19(34)13-9-14(21(24,25)26)11-15(10-13)31-18(33)16-12-30-20(23)32-17(16)22(27,28)29/h9-12H,2-8H2,1H3,(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/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
Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human))	BDBM50062656 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H22ClF6N3O3/c1-2-3-4-5-6-7-8-35-19(34)13-9-14(21(24,25)26)11-15(10-13)31-18(33)16-12-30-20(23)32-17(16)22(27,28)29/h9-12H,2-8H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/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