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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 = 'BDBM495191'   
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))
BDBM495191
PNG
(1-(5-Chloro-2-(2-methoxyethoxy)benzyl)-4-(5-morpho...)
Show SMILES COCCOc1ccc(Cl)cc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1
Show InChI InChI=1S/C26H27ClN4O4/c1-33-10-11-35-24-3-2-20(27)12-19(24)17-31-5-4-18(13-25(31)32)23-16-29-26-22(23)14-21(15-28-26)30-6-8-34-9-7-30/h2-5,12-16H,6-11,17H2,1H3,(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a<10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2DZ0DDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM495191
PNG
(1-(5-Chloro-2-(2-methoxyethoxy)benzyl)-4-(5-morpho...)
Show SMILES COCCOc1ccc(Cl)cc1Cn1ccc(cc1=O)-c1c[nH]c2ncc(cc12)N1CCOCC1
Show InChI InChI=1S/C26H27ClN4O4/c1-33-10-11-35-24-3-2-20(27)12-19(24)17-31-5-4-18(13-25(31)32)23-16-29-26-22(23)14-21(15-28-26)30-6-8-34-9-7-30/h2-5,12-16H,6-11,17H2,1H3,(H,28,29)
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<150n/an/an/an/an/an/a



AGV DISCOVERY; INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM); CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS); UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
To assess compounds capacity to inhibit ERK2 enzymatic activity, Z′-Lyte biochemical assay from Life technologies was used according to manufac...


US Patent US10995089 (2021)


BindingDB Entry DOI: 10.7270/Q2W95D9P
More data for this
Ligand-Target Pair