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BDBM39147 3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methylpiperazin-1-yl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-(R)-3-methylpyperazin-1-yl)-1H-pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[(3R)-3-methyl-1-piperazinyl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[(3R)-3-methylpiperazin-1-yl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[(3R)-3-methylpiperazino]-3-pyrroline-2,5-quinone::CHEMBL1272047::MLS-0090857.0001::cid_16654653

SMILES: C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WUMYVNAGGQHXJW-MRVPVSSYSA-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 = 39147   
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))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.16E+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))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
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 800n/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))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
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 600n/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))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.03E+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