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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM31619'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM31619
PNG
(Aminopyridine N-oxide, 45)
Show SMILES Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
Show InChI InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 54: 7899-910 (2011)


Article DOI: 10.1021/jm200975u
BindingDB Entry DOI: 10.7270/Q2MW2HKR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM31619
PNG
(Aminopyridine N-oxide, 45)
Show SMILES Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
Show InChI InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 21n/an/an/an/a7.525



Almirall Research Center



Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates. Various concentrations of the test compound or vehicle controls were preincubate...


J Med Chem 52: 5531-45 (2009)


Article DOI: 10.1021/jm9008604
BindingDB Entry DOI: 10.7270/Q25719B5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)