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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 = 'BDBM39170'   
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))
BDBM39170
PNG
(3-chloranyl-4-[4-[2-(2-hydroxyethyloxy)ethyl]piper...)
Show SMILES COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|
Show InChI InChI=1S/C19H24ClN3O5/c1-27-15-4-2-3-14(13-15)23-18(25)16(20)17(19(23)26)22-7-5-21(6-8-22)9-11-28-12-10-24/h2-4,13,24H,5-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.85E+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))
BDBM39170
PNG
(3-chloranyl-4-[4-[2-(2-hydroxyethyloxy)ethyl]piper...)
Show SMILES COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|
Show InChI InChI=1S/C19H24ClN3O5/c1-27-15-4-2-3-14(13-15)23-18(25)16(20)17(19(23)26)22-7-5-21(6-8-22)9-11-28-12-10-24/h2-4,13,24H,5-12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.11E+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