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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 6877   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM6877
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O3S/c16-10-2-1-3-11(17)12(10)21-15(25)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,26)27/h1-7H,(H,21,25)(H2,19,26,27)(H3,18,20,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/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
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O3S/c16-10-2-1-3-11(17)12(10)21-15(25)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,26)27/h1-7H,(H,21,25)(H2,19,26,27)(H3,18,20,22,23)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/a8.030



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