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BDBM39141 1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione::3-chloro-1-(2,3-dichlorophenyl)-4-(4-Methylpiperazin-1-yl)-1H-pyrrole-2,5-dione::3-chloro-1-(2,3-dichlorophenyl)-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione::3-chloro-1-(2,3-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione::3-chloro-1-(2,3-dichlorophenyl)-4-(4-methylpiperazino)-3-pyrroline-2,5-quinone::CHEMBL1271823::MLS-0090831.0001::cid_16654638

SMILES: CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl

InChI Key: InChIKey=DRZMRINCKLTNGP-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 = 39141   
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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM39141
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-12(18)14(22)21(15(13)23)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 8.74E+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))
BDBM39141
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-12(18)14(22)21(15(13)23)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3
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 2.60E+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))
BDBM39141
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-12(18)14(22)21(15(13)23)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3
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 8.70E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM39141
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(4-meth...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-5-7-20(8-6-19)13-12(18)14(22)21(15(13)23)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.56E+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