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BDBM39149 3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrole-2,5-dione::3-chloro-4-(4-cinnamylpiperazin-1-yl)-1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione::3-chloro-4-[4-[(E)-cinnamyl]piperazino]-1-(3,4-dichlorophenyl)-3-pyrroline-2,5-quinone::CHEMBL1271495::MLS-0090859.0001::cid_16654655

SMILES: ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=AWYUTIFSEYYTHF-QPJJXVBHSA-N

Data: 3 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 3 hits for monomerid = 39149   
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))
BDBM39149
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phe...)
Show SMILES ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C23H20Cl3N3O2/c24-18-9-8-17(15-19(18)25)29-22(30)20(26)21(23(29)31)28-13-11-27(12-14-28)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 594n/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))
BDBM39149
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phe...)
Show SMILES ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C23H20Cl3N3O2/c24-18-9-8-17(15-19(18)25)29-22(30)20(26)21(23(29)31)28-13-11-27(12-14-28)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
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 690n/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
Bfl-1


(Mus musculus (Mouse))
BDBM39149
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phe...)
Show SMILES ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C23H20Cl3N3O2/c24-18-9-8-17(15-19(18)25)29-22(30)20(26)21(23(29)31)28-13-11-27(12-14-28)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 730n/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