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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TAO2' and Ligand = 'BDBM50536334'   
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
Serine/threonine-protein kinase TAO2


(Rattus norvegicus)
BDBM50536334
PNG
(CHEMBL3715362)
Show SMILES CCOCCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C23H25N3O5S/c1-2-29-11-5-10-26-22(28)17-9-8-15(12-18(17)25-23(26)32)21(27)24-13-16-14-30-19-6-3-4-7-20(19)31-16/h3-4,6-9,12,16H,2,5,10-11,13-14H2,1H3,(H,24,27)(H,25,32)
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system assessed as remaining activity using MBP as substr...


Bioorg Med Chem Lett 26: 3923-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.016
BindingDB Entry DOI: 10.7270/Q2G44TS3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TAO2


(Rattus norvegicus)
BDBM50536334
PNG
(CHEMBL3715362)
Show SMILES CCOCCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C23H25N3O5S/c1-2-29-11-5-10-26-22(28)17-9-8-15(12-18(17)25-23(26)32)21(27)24-13-16-14-30-19-6-3-4-7-20(19)31-16/h3-4,6-9,12,16H,2,5,10-11,13-14H2,1H3,(H,24,27)(H,25,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system using MBP as substrate measured after 30 mins in p...


Bioorg Med Chem Lett 26: 3923-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.016
BindingDB Entry DOI: 10.7270/Q2G44TS3
More data for this
Ligand-Target Pair