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SMILES: CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1

InChI Key: InChIKey=QAIVUOYXMDYZIM-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 = 168269   
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))
BDBM168269
PNG
(US9669031, 97 N-(6-((8-chloro-3-methyl-1,5-dioxo-3...)
Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
Show InChI InChI=1S/C22H19ClN6O3/c1-22(13-5-3-2-4-6-13)28-20(31)18-14(23)9-15(21(32)29(18)22)26-16-10-17(25-11-24-16)27-19(30)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,28,31)(H2,24,25,26,27,30)
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))
BDBM168269
PNG
(US9669031, 97 N-(6-((8-chloro-3-methyl-1,5-dioxo-3...)
Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
Show InChI InChI=1S/C22H19ClN6O3/c1-22(13-5-3-2-4-6-13)28-20(31)18-14(23)9-15(21(32)29(18)22)26-16-10-17(25-11-24-16)27-19(30)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,28,31)(H2,24,25,26,27,30)
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