BindingDB logo
myBDB logout

null

SMILES: CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1

InChI Key: InChIKey=YCGPNOQJICRKAE-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 = 375554   
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))
BDBM375554
PNG
(4-(6-(4-(4-hydroxy-4-methylpiperidine-1-carbonyl)p...)
Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C27H24N4O2/c1-27(33)12-14-30(15-13-27)26(32)22-8-6-20(7-9-22)23-10-11-25-29-17-24(31(25)18-23)21-4-2-19(16-28)3-5-21/h2-11,17-18,33H,12-15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



University of Mississippi



Assay Description
MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...


J Med Chem 50: 3841-50 (2007)


BindingDB Entry DOI: 10.7270/Q2XP777K
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375554
PNG
(4-(6-(4-(4-hydroxy-4-methylpiperidine-1-carbonyl)p...)
Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
Show InChI InChI=1S/C27H24N4O2/c1-27(33)12-14-30(15-13-27)26(32)22-8-6-20(7-9-22)23-10-11-25-29-17-24(31(25)18-23)21-4-2-19(16-28)3-5-21/h2-11,17-18,33H,12-15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



University of Mississippi



Assay Description
MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...


J Med Chem 50: 3841-50 (2007)


BindingDB Entry DOI: 10.7270/Q2XP777K
More data for this
Ligand-Target Pair