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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 = 'BDBM120116'   
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))
BDBM120116
PNG
(US8697715, 209 | US9259470, 209)
Show SMILES Cn1cc(cn1)C(c1ccc(Cl)c(Cl)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F
Show InChI InChI=1S/C25H23Cl2FN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/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))
BDBM120116
PNG
(US8697715, 209 | US9259470, 209)
Show SMILES Cn1cc(cn1)C(c1ccc(Cl)c(Cl)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F
Show InChI InChI=1S/C25H23Cl2FN6O2/c1-33-14-17(12-30-33)24(16-2-3-19(26)20(27)10-16)34-7-4-15(11-22(34)35)23-21(28)13-29-25(32-23)31-18-5-8-36-9-6-18/h2-4,7,10-14,18,24H,5-6,8-9H2,1H3,(H,29,31,32)
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 0.800n/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