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Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'davey' and Initial = 'prj'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM300953
PNG
(N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.0398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300973
PNG
(2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.0501n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300962
PNG
(1-(3-fluoropropyl)-N-(3-methoxy-4-((6S,8R)-8-methy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.0631n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300967
PNG
(5-Fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-tri...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r,$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300955
PNG
(N-(4-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC sid
UniChem
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548427
PNG
(CHEMBL4780809)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(N[C@H]2CCN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of cycloheximide by Western blot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299111
PNG
(US10125135, Example 1)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301005
PNG
(5-fluoro-N-(1- (3- fluoropropyl) azetidin-3-yl)-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CF)c1ncc(NC2CN(CCCF)C2)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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PubMed
n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299117
PNG
((6S,8R)-7-((l-fluorocyclopropyl)methyl)-6-(4-(2-(3...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.126n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299139
PNG
((6R,8R)-6-(4-(2- (3- (fluoromethyl) azetidin-1- yl...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299115
PNG
((6S,8R)-7-(2-fluoro-2-methylpropyl)-6-(4-(2-(3-(fl...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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PubMed
n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548432
PNG
(CHEMBL4785486)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression by Western blot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300969
PNG
(BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 0.158n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300994
PNG
(2,2-difluoro-3- ((6S,8R)-6-(4- ((1-(3- fluoropropy...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517560
PNG
(CHEMBL4583286)
Show SMILES COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-19-17(16)11-28-29-19)23(30(13)12-24(2,26)27)22-18(25)9-14(4-7-21(31)32)10-20(22)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1
PDB

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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300968
PNG
(N-(1-(3- fluoropropyl) azetidin-3-yl)- N-methyl-6-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300998
PNG
(N-(4-((6S,8R)- 7-(2-fluoro-2- methylpropyl)- 8-met...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC sid
UniChem
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50561995
PNG
(CHEMBL4789498)
Show SMILES C[C@@H]1Cc2c(cc(F)c3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299144
PNG
((6S,8R)-6-(2,6- difluoro-4-(2-(3- (fluoromethyl) a...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300963
PNG
(2-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM288677
PNG
(US10087191, Example 94)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300964
PNG
(5-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
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n/an/a 0.251n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM288677
PNG
(US10087191, Example 94)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
Article
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n/an/a 0.251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs by formaldehyde-staining based a...


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299124
PNG
((6S,8R)-6-(4-(2- (3-(fluoromethyl) azetidin-1- yl)...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.251n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM288677
PNG
(US10087191, Example 94)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
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n/an/a 0.316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300959
PNG
(6-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8,9-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r,$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301004
PNG
(6-((6S,8R)-7- (2,2- difluoropropyl)- 8-methyl- 6,7...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517557
PNG
(CHEMBL4436390)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Show InChI InChI=1S/C24H23F4N3O2/c1-13-8-15-16-11-29-30-20(16)6-5-17(15)24(3,31(13)12-23(2,27)28)22-18(25)9-14(10-19(22)26)4-7-21(32)33/h4-7,9-11,13H,8,12H2,1-3H3,(H,29,30)(H,32,33)/b7-4+/t13-,24+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517555
PNG
(CHEMBL4515724)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H26FN3O2/c1-15-12-19-18(9-10-21-20(19)13-26-27-21)23(28(15)14-24(2,3)25)17-7-4-16(5-8-17)6-11-22(29)30/h4-11,13,15,23H,12,14H2,1-3H3,(H,26,27)(H,29,30)/b11-6+/t15-,23-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300997
PNG
(6-((6S,8R)-7- (2-fluoro-2- methylpropyl)- 8-methyl...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300959
PNG
(6-((6S,8R)-7-(2,2-difluoroethyl)-8-methyl-6,7,8,9-...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r,$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517560
PNG
(CHEMBL4583286)
Show SMILES COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-19-17(16)11-28-29-19)23(30(13)12-24(2,26)27)22-18(25)9-14(4-7-21(31)32)10-20(22)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517562
PNG
(CHEMBL4586022)
Show SMILES COc1cc(\C=C\C(O)=O)c(F)cc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-20-18(16)11-28-29-20)23(30(13)12-24(2,26)27)17-10-19(25)14(4-7-22(31)32)9-21(17)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548435
PNG
(CHEMBL4792890)
Show SMILES COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300930
PNG
(N-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-me...)
Show SMILES COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
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n/an/a 0.316n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548433
PNG
(CHEMBL4782483)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(OCCN2CC(CF)C2)cn1 |r|
PDB

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n/an/a 0.398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50548428
PNG
(CHEMBL4779715)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(O[C@H]2CCN(CCCF)C2)cn1 |r|
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n/an/a 0.398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517551
PNG
(CHEMBL4436187)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Show InChI InChI=1S/C23H21F4N3O2/c1-12-7-15-14(4-5-19-16(15)10-28-29-19)22(30(12)11-23(2,26)27)21-17(24)8-13(9-18(21)25)3-6-20(31)32/h3-6,8-10,12,22H,7,11H2,1-2H3,(H,28,29)(H,31,32)/b6-3+/t12-,22+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517559
PNG
(CHEMBL4584370)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Show InChI InChI=1S/C25H26F3N3O2/c1-14-9-16-17-12-29-30-21(17)7-6-18(16)25(4,31(14)13-24(2,3)28)23-19(26)10-15(11-20(23)27)5-8-22(32)33/h5-8,10-12,14H,9,13H2,1-4H3,(H,29,30)(H,32,33)/b8-5+/t14-,25+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50517551
PNG
(CHEMBL4436187)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Show InChI InChI=1S/C23H21F4N3O2/c1-12-7-15-14(4-5-19-16(15)10-28-29-19)22(30(12)11-23(2,26)27)21-17(24)8-13(9-18(21)25)3-6-20(31)32/h3-6,8-10,12,22H,7,11H2,1-2H3,(H,28,29)(H,31,32)/b6-3+/t12-,22+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay


J Med Chem 62: 1593-1608 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01837
BindingDB Entry DOI: 10.7270/Q2NZ8C16
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299151
PNG
((6S,8R)-6-(5-(2- (3-(fluoromethyl) azetidin-1- yl)...)
Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cn1 |r|
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TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299119
PNG
((6S,8R)-7-((l-fluorocyclopropyl)methyl)-6-(5-(2-(3...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cn1 |r|
PDB

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n/an/a 0.398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300931
PNG
((6S,8R)-7-((1-fluorocyclopropyl)methyl)-6-(4-((1-(...)
Show SMILES COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

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n/an/a 0.398n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299120
PNG
((6S,8R)-6-(4-(2-(3-(fluoromethyl)azetidin-1-yl)eth...)
Show SMILES COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)C)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
PDB

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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM300950
PNG
(2,2-difluoro-3-((6S,8R)-6-(5-((1-(3-fluoropropyl)a...)
Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM301006
PNG
((S)-6-(8,8- dimethyl-7- (2,2,2- trifluoroethyl)- 6...)
Show SMILES CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

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n/an/a 0.501n/an/an/an/an/an/a


TBA

Assay Description
Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01163
BindingDB Entry DOI: 10.7270/Q2KK9GDB
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50561995
PNG
(CHEMBL4789498)
Show SMILES C[C@@H]1Cc2c(cc(F)c3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
PDB

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TBA

Assay Description
Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00505
BindingDB Entry DOI: 10.7270/Q2PR80PD
More data for this
Ligand-Target Pair
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