BDBM6877 1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m::5-Amino-3-[[4-(aminosulfonyl)phenyl]amino]-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carboamide::5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
InChI Key: InChIKey=JBOXDNIWQACYPW-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human)) | BDBM6877 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medical College Curated by ChEMBL | Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay | Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM6877 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Johnson & Johnson Pharmaceutical | Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ... | J Med Chem 48: 4208-11 (2005) Article DOI: 10.1021/jm050267e BindingDB Entry DOI: 10.7270/Q22F7KNX | |||||||||||
More data for this Ligand-Target Pair |