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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 13' and Ligand = 'BDBM50222106'   
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 13


(Mus musculus)		BDBM50222106
PNG
(CHEMBL93639)
Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2c1cc2N(C(=O)NCc2nc1Sc1ccc(F)cc1F)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C29H27Cl2F2N5O3S/c1-29(2,3)41-28(40)37-14-16-10-17(37)13-36(16)23-11-22-21(35-26(23)42-24-8-7-15(32)9-20(24)33)12-34-27(39)38(22)25-18(30)5-4-6-19(25)31/h4-9,11,16-17H,10,12-14H2,1-3H3,(H,34,39)
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse Mitogen-activated protein kinase p38

Bioorg Med Chem Lett 13: 273-6 (2003)


BindingDB Entry DOI: 10.7270/Q2BZ688J
More data for this
Ligand-Target Pair