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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 = 'BDBM39171'   
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))
BDBM39171
PNG
(3-chloranyl-4-morpholin-4-yl-1-(4-nitrophenyl)pyrr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
Show InChI InChI=1S/C14H12ClN3O5/c15-11-12(16-5-7-23-8-6-16)14(20)17(13(11)19)9-1-3-10(4-2-9)18(21)22/h1-4H,5-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.49E+3n/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))
BDBM39171
PNG
(3-chloranyl-4-morpholin-4-yl-1-(4-nitrophenyl)pyrr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
Show InChI InChI=1S/C14H12ClN3O5/c15-11-12(16-5-7-23-8-6-16)14(20)17(13(11)19)9-1-3-10(4-2-9)18(21)22/h1-4H,5-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.29E+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