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BDBM39151 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-1-(3,4-dichlorophenyl)pyrrole-2,5-dione::3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-1-(3,4-dichlorophenyl)pyrrole-2,5-dione::3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-1-(3,4-dichlorophenyl)pyrrole-2,5-dione::3-chloro-1-(3,4-dichlorophenyl)-4-(4-piperonylpiperazino)-3-pyrroline-2,5-quinone::MLS-0090865.0001::cid_16654661

SMILES: ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NLKNWYMKDBRUKK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 39151   
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))
BDBM39151
PNG
(3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4...)
Show SMILES ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C22H18Cl3N3O4/c23-15-3-2-14(10-16(15)24)28-21(29)19(25)20(22(28)30)27-7-5-26(6-8-27)11-13-1-4-17-18(9-13)32-12-31-17/h1-4,9-10H,5-8,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.14E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM39151
PNG
(3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4...)
Show SMILES ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
Show InChI InChI=1S/C22H18Cl3N3O4/c23-15-3-2-14(10-16(15)24)28-21(29)19(25)20(22(28)30)27-7-5-26(6-8-27)11-13-1-4-17-18(9-13)32-12-31-17/h1-4,9-10H,5-8,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 4.07E+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