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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50012503   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase


(Homo sapiens (Human))
BDBM50558002
PNG
(CHEMBL4777271)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccccc1)\c1ccc(-[#8])cc1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558013
PNG
(CHEMBL4755831)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558015
PNG
(CHEMBL4745681)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558012
PNG
(CHEMBL4760286)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]C#N)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558016
PNG
(CHEMBL4778401)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1cccc(-[#8])c1)\c1ccc(-[#8])cc1
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558005
PNG
(CHEMBL4780337)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558009
PNG
(CHEMBL4753594)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
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n/an/a 94n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558014
PNG
(CHEMBL4750835)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]-n1cncn1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558003
PNG
(CHEMBL4797578)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cncn1)-c1ccccc1)\c1ccc(-[#8])cc1
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n/an/a 137n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558017
PNG
(CHEMBL4761359)
Show SMILES [#7]-c1cccc(c1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 439n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558010
PNG
(CHEMBL4764457)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cncn1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
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n/an/a 2.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558006
PNG
(CHEMBL4753984)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1cncn1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 3.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558007
PNG
(CHEMBL4749692)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 1.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558001
PNG
(CHEMBL4763409)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]C#N)-c1ccccc1)\c1ccc(-[#8])cc1
PDB
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n/an/a 1.28E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558011
PNG
(CHEMBL4752568)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1cnnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
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n/an/a 1.42E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558004
PNG
(CHEMBL4747849)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]C#N)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
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n/an/a 1.52E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50558008
PNG
(CHEMBL4743255)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]C#N)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
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n/an/a 1.72E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
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n/an/a 2.49E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50558002
PNG
(CHEMBL4777271)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccccc1)\c1ccc(-[#8])cc1
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n/an/an/an/a 27n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50558013
PNG
(CHEMBL4755831)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 296n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50558007
PNG
(CHEMBL4749692)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 1.08E+3n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50558009
PNG
(CHEMBL4753594)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 56n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50558005
PNG
(CHEMBL4780337)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 74n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50558002
PNG
(CHEMBL4777271)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccccc1)\c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 41n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50558007
PNG
(CHEMBL4749692)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 943n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50558009
PNG
(CHEMBL4753594)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 85n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50558013
PNG
(CHEMBL4755831)
Show SMILES [#7]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

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n/an/an/an/a 1.83E+3n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
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n/an/an/an/a 307n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50558005
PNG
(CHEMBL4780337)
Show SMILES [#8]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 98n/an/an/an/a


TBA

Assay Description
Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01677
BindingDB Entry DOI: 10.7270/Q2B2800F
More data for this
Ligand-Target Pair