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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 = 'BDBM298439'   
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))
BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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))
BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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