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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 253.3
BDBM76522
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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
Sentrin-specific protease 6


(Homo sapiens (Human))
BDBM76522
PNG
(2-(2-phenyl-1,3-thiazol-4-yl)phenol | 2-(2-phenyl-...)
Show SMILES Oc1ccccc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-14-9-5-4-8-12(14)13-10-18-15(16-13)11-6-2-1-3-7-11/h1-10,17H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76522
PNG
(2-(2-phenyl-1,3-thiazol-4-yl)phenol | 2-(2-phenyl-...)
Show SMILES Oc1ccccc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-14-9-5-4-8-12(14)13-10-18-15(16-13)11-6-2-1-3-7-11/h1-10,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76522
PNG
(2-(2-phenyl-1,3-thiazol-4-yl)phenol | 2-(2-phenyl-...)
Show SMILES Oc1ccccc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-14-9-5-4-8-12(14)13-10-18-15(16-13)11-6-2-1-3-7-11/h1-10,17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10


(Saccharomyces cerevisiae S288c)
BDBM76522
PNG
(2-(2-phenyl-1,3-thiazol-4-yl)phenol | 2-(2-phenyl-...)
Show SMILES Oc1ccccc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11NOS/c17-14-9-5-4-8-12(14)13-10-18-15(16-13)11-6-2-1-3-7-11/h1-10,17H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair