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BDBM50156747 (S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide::CHEMBL413783

SMILES: CC(C)CNc1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1

InChI Key: InChIKey=NHUQUICYOIWRBS-AWEZNQCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156747   
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))
BDBM50156747
PNG
((S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-...)
Show SMILES CC(C)CNc1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r|
Show InChI InChI=1S/C19H28N8O/c1-11(2)9-22-17-25-18(23-14-6-7-21-10-14)27-19(26-17)24-15-8-13(16(20)28)5-4-12(15)3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3,(H2,20,28)(H3,22,23,24,25,26,27)/t14-/m0/s1
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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb

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