BindingDB logo
myBDB logout

BDBM142690 US8937068, 183

SMILES: CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1

InChI Key: InChIKey=JADAOPXXHHTXCZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 142690   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM142690
PNG
(US8937068, 183)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-25-24(30)29-22-12-10-18-23(28-22)27-19(14-26-18)16-7-11-20(21(13-16)33-3)34-35(31,32)17-8-5-15(2)6-9-17/h5-14H,4H2,1-3H3,(H2,25,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 203n/an/an/an/an/an/a



Zentaris GmbH

US Patent


Assay Description
The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic ass...


US Patent US8937068 (2015)


BindingDB Entry DOI: 10.7270/Q2H993WP
More data for this
Ligand-Target Pair
Jnk1 & Jnk2


(Homo sapiens (Human))
BDBM142690
PNG
(US8937068, 183)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-25-24(30)29-22-12-10-18-23(28-22)27-19(14-26-18)16-7-11-20(21(13-16)33-3)34-35(31,32)17-8-5-15(2)6-9-17/h5-14H,4H2,1-3H3,(H2,25,27,28,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70E+3n/an/an/an/an/an/a



Zentaris GmbH

US Patent


Assay Description
The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic ass...


US Patent US8937068 (2015)


BindingDB Entry DOI: 10.7270/Q2H993WP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142690
PNG
(US8937068, 183)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-25-24(30)29-22-12-10-18-23(28-22)27-19(14-26-18)16-7-11-20(21(13-16)33-3)34-35(31,32)17-8-5-15(2)6-9-17/h5-14H,4H2,1-3H3,(H2,25,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Zentaris GmbH

US Patent


Assay Description
The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic ass...


US Patent US8937068 (2015)


BindingDB Entry DOI: 10.7270/Q2H993WP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM142690
PNG
(US8937068, 183)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C24H23N5O5S/c1-4-25-24(30)29-22-12-10-18-23(28-22)27-19(14-26-18)16-7-11-20(21(13-16)33-3)34-35(31,32)17-8-5-15(2)6-9-17/h5-14H,4H2,1-3H3,(H2,25,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80E+3n/an/an/an/an/an/a



Zentaris GmbH

US Patent


Assay Description
The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic ass...


US Patent US8937068 (2015)


BindingDB Entry DOI: 10.7270/Q2H993WP
More data for this
Ligand-Target Pair