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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 = 'BDBM39172'   
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))
BDBM39172
PNG
(3-chloranyl-4-(4-ethylpiperazin-1-yl)-1-(4-nitroph...)
Show SMILES CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H17ClN4O4/c1-2-18-7-9-19(10-8-18)14-13(17)15(22)20(16(14)23)11-3-5-12(6-4-11)21(24)25/h3-6H,2,7-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 565n/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))
BDBM39172
PNG
(3-chloranyl-4-(4-ethylpiperazin-1-yl)-1-(4-nitroph...)
Show SMILES CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H17ClN4O4/c1-2-18-7-9-19(10-8-18)14-13(17)15(22)20(16(14)23)11-3-5-12(6-4-11)21(24)25/h3-6H,2,7-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 830n/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