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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 = 'BDBM256535'   
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))
BDBM256535
PNG
(US10435361, Example 34 | US9481648, 34 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C42H49N5O9/c1-42(2,3)27-21-34(40(43)48)39(52-6)36(22-27)47-41(49)46-35-11-12-37(33-10-8-7-9-32(33)35)56-29-13-14-44-38(26-29)45-28-23-30(51-5)25-31(24-28)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-26H,15-20H2,1-6H3,(H2,43,48)(H,44,45)(H2,46,47,49)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The following two assay variants can be used for determination of p38 MAPKα inhibition.Method 1The inhibitory activities of test compounds again...


US Patent US9790174 (2017)


BindingDB Entry DOI: 10.7270/Q2M61NCF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM256535
PNG
(US10435361, Example 34 | US9481648, 34 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C42H49N5O9/c1-42(2,3)27-21-34(40(43)48)39(52-6)36(22-27)47-41(49)46-35-11-12-37(33-10-8-7-9-32(33)35)56-29-13-14-44-38(26-29)45-28-23-30(51-5)25-31(24-28)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-26H,15-20H2,1-6H3,(H2,43,48)(H,44,45)(H2,46,47,49)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
Method 2: This method follows the same steps as Method 1 above, but utilises a higher concentration of the p38 MAPKα protein (2.5 uL of 200 ng/...


US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
More data for this
Ligand-Target Pair