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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 = 'BDBM39183'   
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))
BDBM39183
PNG
(3,4-bis(chloranyl)-1-(3-nitrophenyl)pyrrole-2,5-di...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(Cl)C1=O |t:14|
Show InChI InChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-2-1-3-6(4-5)14(17)18/h1-4H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.19E+4n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM39183
PNG
(3,4-bis(chloranyl)-1-(3-nitrophenyl)pyrrole-2,5-di...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(Cl)C1=O |t:14|
Show InChI InChI=1S/C10H4Cl2N2O4/c11-7-8(12)10(16)13(9(7)15)5-2-1-3-6(4-5)14(17)18/h1-4H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.64E+4n/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