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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 = 'BDBM51838'   
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)
BDBM51838
PNG
((5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
Show InChI InChI=1S/C17H18N2OS3/c1-3-11-19-16(20)14(23-17(19)21)9-10-15-18(4-2)12-7-5-6-8-13(12)22-15/h5-10H,3-4,11H2,1-2H3/b14-9+,15-10-
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 3.03E+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)
BDBM51838
PNG
((5E)-5-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
Show InChI InChI=1S/C17H18N2OS3/c1-3-11-19-16(20)14(23-17(19)21)9-10-15-18(4-2)12-7-5-6-8-13(12)22-15/h5-10H,3-4,11H2,1-2H3/b14-9+,15-10-
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 2.67E+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