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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 = 'BDBM39739'   
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)
BDBM39739
PNG
(3-[2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopen...)
Show SMILES Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1
Show InChI InChI=1S/C25H23BrN4O2/c26-20-8-9-22-21(15-20)23(25(31)28-22)29-27-16-19-7-6-18(14-17-4-2-1-3-5-17)24(19)30-10-12-32-13-11-30/h1-5,8-9,14-16H,6-7,10-13H2,(H,28,29,31)
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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/an/an/a 1.87E+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...


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


(Homo sapiens)
BDBM39739
PNG
(3-[2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopen...)
Show SMILES Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1
Show InChI InChI=1S/C25H23BrN4O2/c26-20-8-9-22-21(15-20)23(25(31)28-22)29-27-16-19-7-6-18(14-17-4-2-1-3-5-17)24(19)30-10-12-32-13-11-30/h1-5,8-9,14-16H,6-7,10-13H2,(H,28,29,31)
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 2.07E+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...


Citation and Details
More data for this
Ligand-Target Pair