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SMILES: CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1

InChI Key: InChIKey=AJCYNHWVQLFTRE-UHFFFAOYSA-N

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 = 168244   
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
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM168244
PNG
(US9669031, 72 8-chloro-3-methyl-3-(3-pyridyl)-6-(p...)
Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
Show InChI InChI=1S/C17H13ClN6O2/c1-17(10-3-2-5-19-8-10)23-15(25)14-11(18)7-12(16(26)24(14)17)22-13-4-6-20-9-21-13/h2-9H,1H3,(H,23,25)(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM168244
PNG
(US9669031, 72 8-chloro-3-methyl-3-(3-pyridyl)-6-(p...)
Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
Show InChI InChI=1S/C17H13ClN6O2/c1-17(10-3-2-5-19-8-10)23-15(25)14-11(18)7-12(16(26)24(14)17)22-13-4-6-20-9-21-13/h2-9H,1H3,(H,23,25)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/a25



eFFECTOR THERAPEUTICS, INC.

US Patent


Assay Description
Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Re...


US Patent US9669031 (2017)


BindingDB Entry DOI: 10.7270/Q26Q1VDT
More data for this
Ligand-Target Pair