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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 = 'BDBM39155'   
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))
BDBM39155
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(2S,5R)-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H16Cl3N3O2/c1-8-7-21(9(2)6-20-8)14-13(19)15(23)22(16(14)24)10-3-4-11(17)12(18)5-10/h3-5,8-9,20H,6-7H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.29E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM39155
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(2S,5R)-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
Show InChI InChI=1S/C16H16Cl3N3O2/c1-8-7-21(9(2)6-20-8)14-13(19)15(23)22(16(14)24)10-3-4-11(17)12(18)5-10/h3-5,8-9,20H,6-7H2,1-2H3/t8-,9+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.59E+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