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BDBM33165 3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione::3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-1H-pyrrole-2,5-dione::3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone::3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione::MLS000676199::SMR000271936::cid_2791433

SMILES: COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O

InChI Key: InChIKey=OUSZOSMRRUQPIA-UHFFFAOYSA-N

Data: 6 EC50

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 6 hits for monomerid = 33165   
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


(Homo sapiens (Human))
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 680n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).


(Homo sapiens (Human))
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 610n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NG4P21
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.84E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.65E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24F1P57
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.89E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33165
PNG
(3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.06E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2HQ3XCR
More data for this
Ligand-Target Pair