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10 similar compounds to monomer 50168371

Compile data set for download or QSAR
Wt: 220.2
BDBM34740
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Wt: 268.2
BDBM50107095
Wt: 236.2
BDBM50168361
Wt: 236.2
BDBM50168363
Wt: 220.2
BDBM50168357
Wt: 220.2
BDBM50168338
Wt: 252.2
BDBM50186767
Wt: 268.2
BDBM50197242
Wt: 268.2
BDBM50197243
Wt: 220.2
BDBM50373033
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 34740,50107095,50168361,50168363,50168357,50168338,50186767,50197242,50197243,50373033   
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
MPI protein


(Homo sapiens (Human))
BDBM34740
PNG
(4-Phenyl-naphthalen-2-ol | 4-phenyl-2-naphthalenol...)
Show SMILES Oc1cc(-c2ccccc2)c2ccccc2c1
Show InChI InChI=1S/C16H12O/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-11,17H
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n/an/a 1.44E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50373033
PNG
(CHEMBL258687)
Show SMILES Oc1cccc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H12O/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11,17H
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n/an/a 4.01E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2


J Med Chem 51: 2158-69 (2008)


Article DOI: 10.1021/jm701447v
BindingDB Entry DOI: 10.7270/Q29G5NPZ
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM34740
PNG
(4-Phenyl-naphthalen-2-ol | 4-phenyl-2-naphthalenol...)
Show SMILES Oc1cc(-c2ccccc2)c2ccccc2c1
Show InChI InChI=1S/C16H12O/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-11,17H
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n/an/a 7.42E+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/Q2F18X6W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50107095
PNG
(6-(3,4-Dihydroxy-phenyl)-naphthalene-2,3-diol | 6-...)
Show SMILES Oc1ccc(cc1O)-c1ccc2cc(O)c(O)cc2c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-10(6-14(13)18)9-1-2-11-7-15(19)16(20)8-12(11)5-9/h1-8,17-20H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Université des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase


Bioorg Med Chem Lett 11: 3175-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00658-8
BindingDB Entry DOI: 10.7270/Q2959GVJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50168338
PNG
(7-Phenyl-naphthalen-2-ol | CHEMBL194718)
Show SMILES Oc1ccc2ccc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O/c17-16-9-8-13-6-7-14(10-15(13)11-16)12-4-2-1-3-5-12/h1-11,17H
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n/an/a 527n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50168338
PNG
(7-Phenyl-naphthalen-2-ol | CHEMBL194718)
Show SMILES Oc1ccc2ccc(cc2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O/c17-16-9-8-13-6-7-14(10-15(13)11-16)12-4-2-1-3-5-12/h1-11,17H
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n/an/a 3.41E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50168357
PNG
(6-Phenyl-naphthalen-2-ol | 6-phenyl-2-naphthol | C...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-11,17H
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n/an/a 374n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50168363
PNG
(7-(3-Hydroxy-phenyl)-naphthalen-2-ol | 7-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-12(9-15)13-5-4-11-6-7-16(18)10-14(11)8-13/h1-10,17-18H
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n/an/a 2.64E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50168361
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-1-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H12O2/c17-14-5-1-3-11(10-14)12-7-8-15-13(9-12)4-2-6-16(15)18/h1-10,17-18H
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n/an/a 205n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50168363
PNG
(7-(3-Hydroxy-phenyl)-naphthalen-2-ol | 7-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2ccc(O)cc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-12(9-15)13-5-4-11-6-7-16(18)10-14(11)8-13/h1-10,17-18H
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n/an/a 566n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50168361
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-1-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C16H12O2/c17-14-5-1-3-11(10-14)12-7-8-15-13(9-12)4-2-6-16(15)18/h1-10,17-18H
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n/an/a 1.45E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50168357
PNG
(6-Phenyl-naphthalen-2-ol | 6-phenyl-2-naphthol | C...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1ccccc1
Show InChI InChI=1S/C16H12O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-11,17H
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n/an/a 1.35E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50197242
PNG
(7-(3,5-dihydroxyphenyl)naphthalene-1,3-diol | CHEM...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)cc(O)c2c1
Show InChI InChI=1S/C16H12O4/c17-12-4-11(5-13(18)7-12)9-1-2-10-3-14(19)8-16(20)15(10)6-9/h1-8,17-20H
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n/an/a 490n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 1.65E+4n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 17: 461-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.025
BindingDB Entry DOI: 10.7270/Q20P0ZNM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50197243
PNG
(5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol | 5-(6...)
Show SMILES Oc1ccc2cc(ccc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H12O4/c17-13-4-3-9-5-10(1-2-11(9)6-13)12-7-14(18)16(20)15(19)8-12/h1-8,17-20H
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n/an/a 2.95E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as inhibition of oxidation L-DOPA


Bioorg Med Chem Lett 20: 4882-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.087
BindingDB Entry DOI: 10.7270/Q26M370Q
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 5.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line


J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl


J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50373033
PNG
(CHEMBL258687)
Show SMILES Oc1cccc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H12O/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11,17H
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n/an/a 2.26E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1


J Med Chem 51: 2158-69 (2008)


Article DOI: 10.1021/jm701447v
BindingDB Entry DOI: 10.7270/Q29G5NPZ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM34740
PNG
(4-Phenyl-naphthalen-2-ol | 4-phenyl-2-naphthalenol...)
Show SMILES Oc1cc(-c2ccccc2)c2ccccc2c1
Show InChI InChI=1S/C16H12O/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-11,17H
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n/an/an/an/a 4.01E+4n/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