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BDBM50376227 CHEMBL412281

SMILES: CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1

InChI Key: InChIKey=XTTRZMGIAJVRQG-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 = 50376227   
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))
BDBM50376227
PNG
(CHEMBL412281)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38-gamma


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50376227
PNG
(CHEMBL412281)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50376227
PNG
(CHEMBL412281)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38delta


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50376227
PNG
(CHEMBL412281)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nc(NC)nc3n(ncc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N7O/c1-13-9-10-14(20(29)22-2)11-17(13)25-18-16-12-24-28(15-7-5-4-6-8-15)19(16)27-21(23-3)26-18/h4-12H,1-3H3,(H,22,29)(H2,23,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38beta


Bioorg Med Chem Lett 18: 2652-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.019
BindingDB Entry DOI: 10.7270/Q2C53MR6
More data for this
Ligand-Target Pair