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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1/3' and Ligand = 'BDBM50265959'   
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 1/3


(Homo sapiens (Human))
BDBM50265959
PNG
(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1/3


(Homo sapiens (Human))
BDBM50265959
PNG
(CHEMBL4071576)
Show SMILES C[C@@H]1Cn2cc(cc2C(=O)N1Cc1cccc(C)n1)-c1nc(Nc2ccnn2C)ncc1C |r|
Show InChI InChI=1S/C24H26N8O/c1-15-11-25-24(28-21-8-9-26-30(21)4)29-22(15)18-10-20-23(33)32(17(3)12-31(20)13-18)14-19-7-5-6-16(2)27-19/h5-11,13,17H,12,14H2,1-4H3,(H,25,28,29)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs


J Med Chem 62: 11004-11018 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01295
BindingDB Entry DOI: 10.7270/Q24X5C3Z
More data for this
Ligand-Target Pair