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SMILES: COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O

InChI Key: InChIKey=YEZVBLAHPOQECG-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 = 168338   
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))
BDBM168338
PNG
(US9669031, 187 8-chloro-6-[(5-methoxypyrimidin-4-y...)
Show SMILES COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Show InChI InChI=1S/C17H18ClN5O3/c1-26-12-8-19-9-20-14(12)21-11-7-10(18)13-15(24)22-17(23(13)16(11)25)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H,19,20,21)
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))
BDBM168338
PNG
(US9669031, 187 8-chloro-6-[(5-methoxypyrimidin-4-y...)
Show SMILES COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
Show InChI InChI=1S/C17H18ClN5O3/c1-26-12-8-19-9-20-14(12)21-11-7-10(18)13-15(24)22-17(23(13)16(11)25)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H,19,20,21)
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