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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 = 'BDBM51879'   
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)
BDBM51879
PNG
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-me...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
Show InChI InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/an/an/a 5.37E+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)
BDBM51879
PNG
(4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-me...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
Show InChI InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)
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 1.94E+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