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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 9' and Ligand = 'BDBM102569'   
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 9


(Homo sapiens (Human))		BDBM102569
PNG
(US8536172, I-18)
Show SMILES CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:25.27,wD:28.34,(5.57,-3.13,;6.66,-2.04,;7.75,-.95,;7.06,-3.52,;5.17,-1.64,;4.08,-2.73,;2.59,-2.33,;2.19,-.84,;3.28,.25,;4.77,-.15,;.71,-.44,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;-2.41,3.85,;-2.41,5.39,;-3.75,6.16,;-5.08,5.39,;-5.08,3.85,;-6.41,3.08,;-6.41,1.54,;-5.08,.77,;-5.08,-.77,;-6.41,-1.54,;-7.75,-.77,;-7.75,.77,;-6.41,-3.08,;-7.75,-3.85,;-5.08,-3.85,;-5.08,-5.39,;-3.75,-6.16,;-2.41,-5.39,;-1.08,-6.16,;-2.41,-3.85,;-3.75,-3.08,;-3.75,3.08,)|
Show InChI InChI=1S/C30H40N6O4S/c1-41(39,40)24-12-18-34(19-13-24)26-3-2-4-27-25(26)14-20-36(27)28-9-15-31-30(33-28)32-22-7-5-21(6-8-22)29(38)35-16-10-23(37)11-17-35/h2-4,9,14-15,20-24,37H,5-8,10-13,16-19H2,1H3,(H,31,32,33)/t21-,22-
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human JNK2alpha2 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by micr...

Bioorg Med Chem Lett 23: 3565-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.029
BindingDB Entry DOI: 10.7270/Q2MG7SF1
More data for this
Ligand-Target Pair