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BDBM375569 4-(6-(4-(4-benzoylpiperazine-1-carbonyl)phenyl)imidazo[1,2-a]pyridin-3-yl)benzonitrile::US9908886, Example 126

SMILES: O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccccc1

InChI Key: InChIKey=QXDQZROTAJIXNY-UHFFFAOYSA-N

Data: 2 IC50

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 = 375569   
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 1/2


(Homo sapiens (Human))
BDBM375569
PNG
(4-(6-(4-(4-benzoylpiperazine-1-carbonyl)phenyl)imi...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccccc1
Show InChI InChI=1S/C32H25N5O2/c33-20-23-6-8-25(9-7-23)29-21-34-30-15-14-28(22-37(29)30)24-10-12-27(13-11-24)32(39)36-18-16-35(17-19-36)31(38)26-4-2-1-3-5-26/h1-15,21-22H,16-19H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Agency for Science, Technology and Research

US Patent


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...


US Patent US9908886 (2018)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM375569
PNG
(4-(6-(4-(4-benzoylpiperazine-1-carbonyl)phenyl)imi...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1)c1ccccc1
Show InChI InChI=1S/C32H25N5O2/c33-20-23-6-8-25(9-7-23)29-21-34-30-15-14-28(22-37(29)30)24-10-12-27(13-11-24)32(39)36-18-16-35(17-19-36)31(38)26-4-2-1-3-5-26/h1-15,21-22H,16-19H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Agency for Science, Technology and Research

US Patent


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...


US Patent US9908886 (2018)

More data for this
Ligand-Target Pair