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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 = 'BDBM120108'   
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))
BDBM120108
PNG
(US8697715, 134 | US9259470, 134)
Show SMILES CC[C@@H](CO)Nc1nccc(n1)-c1ccn(C(C)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H22ClFN4O2/c1-3-16(12-28)25-21-24-8-6-19(26-21)15-7-9-27(20(29)11-15)13(2)14-4-5-17(22)18(23)10-14/h4-11,13,16,28H,3,12H2,1-2H3,(H,24,25,26)/t13?,16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.5n/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))
BDBM120108
PNG
(US8697715, 134 | US9259470, 134)
Show SMILES CC[C@@H](CO)Nc1nccc(n1)-c1ccn(C(C)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H22ClFN4O2/c1-3-16(12-28)25-21-24-8-6-19(26-21)15-7-9-27(20(29)11-15)13(2)14-4-5-17(22)18(23)10-14/h4-11,13,16,28H,3,12H2,1-2H3,(H,24,25,26)/t13?,16-/m0/s1
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 5.5n/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