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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM120109'   
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 1


(Homo sapiens (Human))
BDBM120109
PNG
(US8697715, 139 | US9259470, 139)
Show SMILES CCc1nccc(Nc2nccc(n2)-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
Show InChI InChI=1S/C23H20ClFN6O2/c1-2-20-26-9-6-21(29-20)30-23-27-8-5-18(28-23)14-7-10-31(22(33)12-14)19(13-32)15-3-4-16(24)17(25)11-15/h3-12,19,32H,2,13H2,1H3,(H,26,27,28,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.7n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM120109
PNG
(US8697715, 139 | US9259470, 139)
Show SMILES CCc1nccc(Nc2nccc(n2)-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1
Show InChI InChI=1S/C23H20ClFN6O2/c1-2-20-26-9-6-21(29-20)30-23-27-8-5-18(28-23)14-7-10-31(22(33)12-14)19(13-32)15-3-4-16(24)17(25)11-15/h3-12,19,32H,2,13H2,1H3,(H,26,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.7n/an/an/an/a7.3n/a



Array BioPharma, Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US8697715 (2014)


BindingDB Entry DOI: 10.7270/Q2NV9GXF
More data for this
Ligand-Target Pair