BDBM50062648 2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide::CHEMBL336546::SP 100030
SMILES: FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
InChI Key: InChIKey=GHMKQBWHPQMXSH-UHFFFAOYSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear factor NF-kappa-B (NF-kB) (Homo sapiens (Human)) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | 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 | |||||||||||||
Activating transcription factor 1 (Homo sapiens (Human)) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | 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 | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription factor AP-1 (Homo sapiens (Human)) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Medical Branch Curated by ChEMBL | Assay Description Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay | J Med Chem 57: 6930-48 (2014) Article DOI: 10.1021/jm5004733 BindingDB Entry DOI: 10.7270/Q2222WDT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health | Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _... | bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription factor AP-1 (Homo sapiens (Human)) | BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Signal Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells | J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N | |||||||||||
More data for this Ligand-Target Pair |