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SMILES: CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1

InChI Key: InChIKey=QIMGDBHWVXEGQS-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 = 164276   
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))
BDBM164276
PNG
(US9669031, 13 3-(4-chlorophenyl)-3-methyl-6-(pyrim...)
Show SMILES CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10H,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 55n/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))
BDBM164276
PNG
(US9669031, 13 3-(4-chlorophenyl)-3-methyl-6-(pyrim...)
Show SMILES CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10H,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 55n/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