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BDBM40089 7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoindolin-1-one::7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one::7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)-3H-isoindol-1-one::7-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one::MLS000117134::SMR000094087::cid_5307358

SMILES: COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O

InChI Key: InChIKey=KKVJEPPHGWHDKW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 40089   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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UniChem
PCBioAssay
n/an/a 9.80E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
PDB
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n/an/a 3.10E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 9.04E+3n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZRN
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



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 (SBIMR, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2902274
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N58JV3
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 4.24E+3n/an/an/an/an/an/a



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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM40089
PNG
(7-[4-(2-furoyl)piperazine-1-carbonyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
Show InChI InChI=1S/C25H23N3O5/c1-32-19-9-7-18(8-10-19)28-16-17-4-2-5-20(22(17)25(28)31)23(29)26-11-13-27(14-12-26)24(30)21-6-3-15-33-21/h2-10,15H,11-14,16H2,1H3
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n/an/a 5.99E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair