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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM298412'   
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 14


(Homo sapiens (Human))
BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 119n/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 US9751837 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 119n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair