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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM34191'   
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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM34191
PNG
((2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
Show InChI InChI=1S/C19H16N4O3S/c1-25-14-10-6-4-8-12(14)16(24)18-20-13-9-5-3-7-11(13)15-17(26-18)21-19(27-2)23-22-15/h3-10,18,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.60E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K072NW
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM34191
PNG
((2-methoxyphenyl)-(3-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
Show InChI InChI=1S/C19H16N4O3S/c1-25-14-10-6-4-8-12(14)16(24)18-20-13-9-5-3-7-11(13)15-17(26-18)21-19(27-2)23-22-15/h3-10,18,20H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.79E+3n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N014W6
More data for this
Ligand-Target Pair