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SMILES: CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1

InChI Key: InChIKey=NYHXXAIWIWSJLZ-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 4 hits for monomerid = 47099   
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))
BDBM47099
PNG
(US8937068, 169)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H18N5O6P/c1-3-18-17(23)22-15-7-5-11-16(21-15)20-12(9-19-11)10-4-6-13(14(8-10)27-2)28-29(24,25)26/h4-9H,3H2,1-2H3,(H2,24,25,26)(H2,18,20,21,22,23)
PDB
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PC cid
PC sid
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Similars

US Patent
n/an/a 2.70E+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 8/9


(Homo sapiens (Human))
BDBM47099
PNG
(US8937068, 169)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H18N5O6P/c1-3-18-17(23)22-15-7-5-11-16(21-15)20-12(9-19-11)10-4-6-13(14(8-10)27-2)28-29(24,25)26/h4-9H,3H2,1-2H3,(H2,24,25,26)(H2,18,20,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.50E+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))
BDBM47099
PNG
(US8937068, 169)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H18N5O6P/c1-3-18-17(23)22-15-7-5-11-16(21-15)20-12(9-19-11)10-4-6-13(14(8-10)27-2)28-29(24,25)26/h4-9H,3H2,1-2H3,(H2,24,25,26)(H2,18,20,21,22,23)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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UniChem

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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))
BDBM47099
PNG
(US8937068, 169)
Show SMILES CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1
Show InChI InChI=1S/C17H18N5O6P/c1-3-18-17(23)22-15-7-5-11-16(21-15)20-12(9-19-11)10-4-6-13(14(8-10)27-2)28-29(24,25)26/h4-9H,3H2,1-2H3,(H2,24,25,26)(H2,18,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.70E+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