BindingDB logo
myBDB logout

BDBM39144 3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione::3-chloro-1-(3-chlorophenyl)-4-(4-Methylpiperazin-1-yl)-1H-pyrrole-2,5-dione::3-chloro-1-(3-chlorophenyl)-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione::3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione::3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazino)-3-pyrroline-2,5-quinone::CHEMBL1271881::MLS-0090834.0001::cid_720528

SMILES: CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1

InChI Key: InChIKey=UMJDJJMJMDGWRA-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 = 39144   
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))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.15E+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))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+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))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+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))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.17E+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