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BDBM50156743 (S)-N-hydroxy-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide::CHEMBL225419

SMILES: CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1

InChI Key: InChIKey=AELHYFBIBMMUDF-GGYSOQFKNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156743   
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 14


(Homo sapiens (Human))
BDBM50156743
PNG
((S)-N-hydroxy-4-methyl-3-(4-(methyl(neopentyl)amin...)
Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1
Show InChI InChI=1/C21H32N8O2/c1-13-6-7-14(17(30)28-31)10-16(13)24-19-25-18(23-15-8-9-22-11-15)26-20(27-19)29(5)12-21(2,3)4/h6-7,10,15,22,31H,8-9,11-12H2,1-5H3,(H,28,30)(H2,23,24,25,26,27)/t15-/s2
PDB
MMDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair