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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 = 'BDBM51883'   
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))
BDBM51883
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-[4-(1,3-benzodioxo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
Show InChI InChI=1S/C26H26N4O4S/c1-3-30(4-2)11-12-32-26(31)18-5-8-21(9-6-18)28-15-20(14-27)25-29-22(16-35-25)19-7-10-23-24(13-19)34-17-33-23/h5-10,13,15-16,20H,3-4,11-12,17H2,1-2H3
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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/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM51883
PNG
(2-(diethylamino)ethyl 4-[[(Z)-2-[4-(1,3-benzodioxo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
Show InChI InChI=1S/C26H26N4O4S/c1-3-30(4-2)11-12-32-26(31)18-5-8-21(9-6-18)28-15-20(14-27)25-29-22(16-35-25)19-7-10-23-24(13-19)34-17-33-23/h5-10,13,15-16,20H,3-4,11-12,17H2,1-2H3
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/Q25Q4THK
More data for this
Ligand-Target Pair