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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 2' and Ligand = 'BDBM54956'   
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 kinase kinase kinase 2


(Homo sapiens (Human))
BDBM54956
PNG
(6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...)
Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2FQ9V13
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM54956
PNG
(6-cycloheptyl-3-(2-pyridinyl)-[1,2,4]triazolo[3,4-...)
Show SMILES C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H17N5S/c1-2-4-8-11(7-3-1)14-19-20-13(17-18-15(20)21-14)12-9-5-6-10-16-12/h5-6,9-11H,1-4,7-8H2
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2KH0KRZ
More data for this
Ligand-Target Pair