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BDBM50168371 6-(3-Hydroxy-phenyl)-naphthalen-2-ol::6-(3-hydroxyphenyl)-2-naphthol::6-(3-hydroxyphenyl)naphthalen-2-ol::CHEMBL195217

SMILES: Oc1cccc(c1)-c1ccc2cc(O)ccc2c1

InChI Key: InChIKey=VHWBXEUHUQDHDH-UHFFFAOYSA-N

Data: 18 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50168371   
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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 116n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol


J Med Chem 51: 4685-98 (2008)


Article DOI: 10.1021/jm800367k
BindingDB Entry DOI: 10.7270/Q29S1QVM
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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PubMed
n/an/a 5.64E+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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 229n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting


J Med Chem 54: 534-47 (2011)


Article DOI: 10.1021/jm1009082
BindingDB Entry DOI: 10.7270/Q2WH2Q7F
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 116n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting


J Med Chem 54: 534-47 (2011)


Article DOI: 10.1021/jm1009082
BindingDB Entry DOI: 10.7270/Q2WH2Q7F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 230n/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))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 30n/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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 6.40E+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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 5.64E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as conversion of [3H]17beta-estradiol to [3H]estrone


J Med Chem 51: 4685-98 (2008)


Article DOI: 10.1021/jm800367k
BindingDB Entry DOI: 10.7270/Q29S1QVM
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 5.64E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of [3H]E2 binding to human placental 17beta-HSD2 after 20 mins


Bioorg Med Chem 19: 807-15 (2011)


Article DOI: 10.1016/j.bmc.2010.12.013
BindingDB Entry DOI: 10.7270/Q2XW4K2D
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 5.64E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human placental 17beta-HSD2 after 10 mins by fluid scintillation counting


J Med Chem 54: 534-47 (2011)


Article DOI: 10.1021/jm1009082
BindingDB Entry DOI: 10.7270/Q2WH2Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 3.99E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


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
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 1.34E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2B6


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 1.05E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 7.54E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 3.26E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 1.58E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 116n/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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50168371
PNG
(6-(3-Hydroxy-phenyl)-naphthalen-2-ol | 6-(3-hydrox...)
Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O2/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10,17-18H
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n/an/a 116n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of [3H]E1 binding to human placental 17beta-HSD1 after 20 mins


Bioorg Med Chem 19: 807-15 (2011)


Article DOI: 10.1016/j.bmc.2010.12.013
BindingDB Entry DOI: 10.7270/Q2XW4K2D
More data for this
Ligand-Target Pair