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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 = 'BDBM334379'   
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))
BDBM334379
PNG
(1-(3-(tert-Butyl)-1-(4-(dimethylamino)phenyl)-1H-p...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(cc4)N(C)C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C44H52N8O7/c1-44(2,3)39-29-40(52(50-39)32-14-12-31(13-15-32)51(4)5)48-43(53)47-37-16-17-38(36-11-9-8-10-35(36)37)59-41-18-19-45-42(49-41)46-30-26-33(55-7)28-34(27-30)58-25-24-57-23-22-56-21-20-54-6/h8-19,26-29H,20-25H2,1-7H3,(H,45,46,49)(H2,47,48,53)
PDB
MMDB

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PC cid
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US Patent
n/an/a 187n/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)

More data for this
Ligand-Target Pair