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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 = 'BDBM236622'   
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))
BDBM236622
PNG
(US9388136, Table 1, Compound 14:tert-butyl N- [2-(...)
Show SMILES C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C27H29F2N3O4/c1-16(26(35)36-27(2,3)4)31-14-13-17-5-8-19(9-6-17)32-23(33)12-11-21(25(32)30)24(34)20-10-7-18(28)15-22(20)29/h5-12,15-16,31H,13-14,30H2,1-4H3/t16-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58n/an/an/an/a7.525



Chroma Therapeutics Ltd

US Patent


Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o...


US Patent US9388136 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J5H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM236622
PNG
(US9388136, Table 1, Compound 14:tert-butyl N- [2-(...)
Show SMILES C[C@H](NCCc1ccc(cc1)-n1c(N)c(ccc1=O)C(=O)c1ccc(F)cc1F)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C27H29F2N3O4/c1-16(26(35)36-27(2,3)4)31-14-13-17-5-8-19(9-6-17)32-23(33)12-11-21(25(32)30)24(34)20-10-7-18(28)15-22(20)29/h5-12,15-16,31H,13-14,30H2,1-4H3/t16-/m0/s1
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 58n/an/an/an/a7.525



Chroma Therapeutics Ltd

US Patent


Assay Description
The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume o...


US Patent US9388136 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J5H
More data for this
Ligand-Target Pair