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BDBM50170214 CHEMBL3805624

SMILES: CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=WFFMZNUFMBCFFK-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170214   
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


(Homo sapiens (Human))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50170214
PNG
(CHEMBL3805624)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair