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BDBM50357906 CHEMBL1916520

SMILES: CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1

InChI Key: InChIKey=LDSNTQBMGGRIJG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357906   
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))		BDBM50357906
PNG
(CHEMBL1916520)
Show SMILES CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(2.33,-7.59,;2.34,-6.04,;3.68,-5.28,;3.67,-6.81,;1.02,-5.27,;-.33,-6.03,;-1.65,-5.25,;-1.64,-3.71,;-.31,-2.94,;1.02,-3.72,;-2.98,-2.94,;-2.97,-1.4,;-4.31,-.62,;-4.31,.91,;-2.98,1.68,;-2.97,3.22,;-4.31,3.99,;-4.31,5.53,;-5.65,3.22,;-5.64,1.68,;-6.97,.91,;-5.65,-1.39,;-6.98,-.63,;-8.31,-1.4,;-8.31,-2.94,;-9.65,-3.71,;-6.98,-3.72,;-6.97,-5.25,;-8.31,-6.02,;-9.64,-5.25,;-8.31,-7.56,;-6.97,-8.33,;-5.63,-7.55,;-5.64,-6.01,;-4.31,-5.23,;-5.65,-2.94,;-4.32,-3.71,)|
Show InChI InChI=1S/C29H27Cl3FN3O/c1-29(2,3)35-12-9-17(10-13-35)25-16-21(19-8-7-18(33)15-24(19)32)20-11-14-36(37)28(27(20)34-25)26-22(30)5-4-6-23(26)31/h4-8,11,14-17H,9-10,12-13H2,1-3H3
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MMDB

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Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis

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