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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 12 (p38MAPgamma)' and Ligand = 'BDBM334318'   
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 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)N=S(C)(C)=O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H37N9O4S/c1-36(2,3)30-21-31(45(43-30)25-14-17-32(48-4)38-22-25)41-35(46)40-28-15-16-29(27-13-8-7-12-26(27)28)49-33-18-19-37-34(42-33)39-23-10-9-11-24(20-23)44-50(5,6)47/h7-22H,1-6H3,(H,37,39,42)(H2,40,41,46)
PDB
MMDB

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Article
US Patent
n/an/a 81n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9732063 (2017)


Article DOI: 10.1021/jm060978s
More data for this
Ligand-Target Pair