new BindingDB logo
myBDB logout

BDBM50156158 CHEMBL3781244

SMILES: CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1

InChI Key: InChIKey=OBALKFHHXFROHH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50156158   
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
p38 delta/gamma


(Homo sapiens (Human))
BDBM50156158
PNG
(CHEMBL3781244)
Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 461n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 gamma assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50156158
PNG
(CHEMBL3781244)
Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50156158
PNG
(CHEMBL3781244)
Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 197n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair