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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 = 'BDBM495246'   
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))
BDBM495246
PNG
(1-(2,3-Difluorobenzyl)-4-(5-morpholino-1H-pyrrolo[...)
Show SMILES Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1F
Show InChI InChI=1S/C23H20F2N4O2/c24-20-3-1-2-16(22(20)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM495246
PNG
(1-(2,3-Difluorobenzyl)-4-(5-morpholino-1H-pyrrolo[...)
Show SMILES Fc1cccc(Cn2ccc(cc2=O)-c2c[nH]c3ncc(cc23)N2CCOCC2)c1F
Show InChI InChI=1S/C23H20F2N4O2/c24-20-3-1-2-16(22(20)25)14-29-5-4-15(10-21(29)30)19-13-27-23-18(19)11-17(12-26-23)28-6-8-31-9-7-28/h1-5,10-13H,6-9,14H2,(H,26,27)
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