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7 similar compounds to monomer 23223

Compile data set for download or QSAR
Wt: 462.5
BDBM31802
Purchase
Wt: 518.5
BDBM46555
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Wt: 546.6
BDBM50010436
Wt: 574.6
BDBM50010443
Wt: 546.6
BDBM50010446
Wt: 550.5
BDBM50031640
Wt: 486.5
BDBM50031641

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 31802,46555,50010436,50010443,50010446,50031640,50031641   
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
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50010436
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-1,1'-dimet...)
Show SMILES COc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1OC
Show InChI InChI=1S/C32H34O8/c1-13(2)21-17-9-15(5)23(31(39-7)25(17)19(11-33)27(35)29(21)37)24-16(6)10-18-22(14(3)4)30(38)28(36)20(12-34)26(18)32(24)40-8/h9-14,35-38H,1-8H3
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PubMed
310n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against aldose reductase from human placenta


J Med Chem 34: 3301-5 (1991)


Article DOI: 10.1021/jm00115a021
BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50010446
PNG
(1,7,1',7'-Tetrahydroxy-5,5'-diisopropyl-6,6'-dimet...)
Show SMILES COc1c(O)c(C=O)c2c(O)c(c(C)cc2c1C(C)C)-c1c(C)cc2c(C(C)C)c(OC)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C32H34O8/c1-13(2)21-17-9-15(5)23(29(37)25(17)19(11-33)27(35)31(21)39-7)24-16(6)10-18-22(14(3)4)32(40-8)28(36)20(12-34)26(18)30(24)38/h9-14,35-38H,1-8H3
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1.50E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Aldose reductase from human placenta


J Med Chem 34: 3301-5 (1991)


Article DOI: 10.1021/jm00115a021
BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50010443
PNG
(1,1'-Dihydroxy-5,5'-diisopropyl-6,7,6',7'-tetramet...)
Show SMILES COc1c(OC)c(C(C)C)c2cc(C)c(c(O)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1O
Show InChI InChI=1S/C34H38O8/c1-15(2)23-19-11-17(5)25(29(37)27(19)21(13-35)31(39-7)33(23)41-9)26-18(6)12-20-24(16(3)4)34(42-10)32(40-8)22(14-36)28(20)30(26)38/h11-16,37-38H,1-10H3
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9.70E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Aldose reductase from human placenta


J Med Chem 34: 3301-5 (1991)


Article DOI: 10.1021/jm00115a021
BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/a25



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM46555
PNG
(GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | a...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2513WMG
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM46555
PNG
(GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | a...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 1.36E+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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM46555
PNG
(GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | a...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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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
Valosin-containing protein


(Homo sapiens (Human))
BDBM46555
PNG
(GOSSYPOL ACETATE | MLS000028630 | SMR000058743 | a...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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n/an/a 5.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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US Patent
n/an/a 3.69E+3n/an/an/an/an/a25



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified ...


US Patent US9115061 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15PX
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/an/a 1.70E+3n/an/an/a7.4n/a



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
Titrations were performed using a VP-ITC or ITC200 calorimeter from Microcal (Northampton, Mass.). BCL-XL was used at concentrations between 25 and 1...


US Patent US9115061 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15PX
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50031640
PNG
(1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-d...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O
Show InChI InChI=1S/C30H30O10/c1-9(2)15-13-7-11(5)17(23(31)19(13)21(29(37)38)27(35)25(15)33)18-12(6)8-14-16(10(3)4)26(34)28(36)22(30(39)40)20(14)24(18)32/h7-10,31-36H,1-6H3,(H,37,38)(H,39,40)
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n/an/an/a 90n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)


Article DOI: 10.1021/jm00013a018
BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a 2.60E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50031641
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2cc(c(C)cc12)-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C30H30O6/c1-13(2)25-21-7-15(5)17(9-19(21)23(11-31)27(33)29(25)35)18-10-20-22(8-16(18)6)26(14(3)4)30(36)28(34)24(20)12-32/h7-14,33-36H,1-6H3
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)


Article DOI: 10.1021/jm00013a018
BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a 3.70E+3 1.70E+3n/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a 4.30E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair