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BDBM39152 3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlorophenyl)pyrrole-2,5-dione::3-(4-benzylpiperazino)-4-chloro-1-(3,4-dichlorophenyl)-3-pyrroline-2,5-quinone::3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-(4-benzylpiperazin-1-yl)-1H-pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione::CHEMBL1272313::MLS-0090866.0001::cid_16654662

SMILES: ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SBNOUSIFZCQQID-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39152   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bfl-1


(Mus musculus (Mouse))
BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.62E+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


(Homo sapiens (Human))
BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.046
BindingDB Entry DOI: 10.7270/Q27D2VCZ
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.046
BindingDB Entry DOI: 10.7270/Q27D2VCZ
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.64E+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