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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 2' and Ligand = 'BDBM51840'   
Target
(Institution)
LigandTarget
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 2


(Homo sapiens)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/an/an/a 2.63E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51840
PNG
((2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H27N2S/c1-6-25-20(10-9-19-12-16(3)8-11-21(19)25)15-24-26(7-2)22-13-17(4)18(5)14-23(22)27-24/h8-15H,6-7H2,1-5H3/q+1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair