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Compile Data Set for Download or QSAR

Found 280 hits with Last Name = 'leblanc' and Initial = 'e'   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50573398
PNG
(CHEMBL4845915)
Show SMILES Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
MMDB

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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573397
PNG
(CHEMBL4856070)
Show SMILES Fc1ccc2c(c[nH]c2c1Cl)-c1ccc2ccccc2n1
PDB
MMDB

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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573411
PNG
(CHEMBL4849023)
Show SMILES FC(F)CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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n/an/a 50n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573399
PNG
(CHEMBL4870389)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573413
PNG
(CHEMBL4847082)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1cncs1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573412
PNG
(CHEMBL4872533)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NC1CC1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573390
PNG
(CHEMBL4852876)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence ...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497999
PNG
(CHEMBL3323483)
Show SMILES Brc1ncn(c1Br)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H10Br2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469124
PNG
(CHEMBL113332)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8])c1
Show InChI InChI=1S/C22H16O3/c1-25-15-11-10-14(21(23)13-15)12-20-16-6-2-4-8-18(16)22(24)19-9-5-3-7-17(19)20/h2-13,23H,1H3
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573408
PNG
(CHEMBL4857183)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(F)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573396
PNG
(CHEMBL4875734)
Show SMILES Clc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573395
PNG
(CHEMBL4870138)
Show SMILES Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573414
PNG
(CHEMBL4876258)
Show SMILES CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573394
PNG
(CHEMBL4852991)
Show SMILES Fc1cc(Cl)cc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498008
PNG
(CHEMBL3323487)
Show SMILES Oc1c(F)cccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(12(10)17)11-8-19-13(15-11)16-4-6-18-7-5-16/h1-3,8,17H,4-7H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497988
PNG
(CHEMBL3323477)
Show SMILES FC(F)(F)[C@H]1CN(CCO1)c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C14H13F3N2OS/c15-14(16,17)12-8-19(6-7-20-12)13-18-11(9-21-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t12-/m1/s1
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573416
PNG
(CHEMBL4866292)
Show SMILES CC(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB assessed as reduction in PSA level incubated for 3 days


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573410
PNG
(CHEMBL4871740)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Br)c2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497999
PNG
(CHEMBL3323483)
Show SMILES Brc1ncn(c1Br)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H10Br2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469125
PNG
(CHEMBL1210959)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H16Cl2O4/c1-28-18-10-9-12(23(29-2)21(18)26)11-15-13-5-3-7-16(24)19(13)22(27)20-14(15)6-4-8-17(20)25/h3-11,26H,1-2H3
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573393
PNG
(CHEMBL4852542)
Show SMILES Cc1c(F)ccc2c(c[nH]c12)-c1ccc2ccccc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497998
PNG
(CHEMBL3323484)
Show SMILES COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3
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n/an/a 180n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573407
PNG
(CHEMBL4869391)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(C)c2n1
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573415
PNG
(CHEMBL4849002)
Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)C(=O)NCC1CC1
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573392
PNG
(CHEMBL4850974)
Show SMILES Fc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573416
PNG
(CHEMBL4866292)
Show SMILES CC(C)NC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573409
PNG
(CHEMBL4856585)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2cccc(Cl)c2n1
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497985
PNG
(CHEMBL3323486)
Show SMILES C1CN(CCO1)c1nc(cs1)-c1ccsc1
Show InChI InChI=1S/C11H12N2OS2/c1-6-15-7-9(1)10-8-16-11(12-10)13-2-4-14-5-3-13/h1,6-8H,2-5H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573391
PNG
(CHEMBL4877104)
Show SMILES Cc1cc(F)cc2c(c[nH]c12)-c1ccc2ccccc2n1
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497984
PNG
(CHEMBL3323488)
Show SMILES COc1cc(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3
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n/an/a 230n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573404
PNG
(CHEMBL4868944)
Show SMILES CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(C)cccc12
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469124
PNG
(CHEMBL113332)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8])c1
Show InChI InChI=1S/C22H16O3/c1-25-15-11-10-14(21(23)13-15)12-20-16-6-2-4-8-18(16)22(24)19-9-5-3-7-17(19)20/h2-13,23H,1H3
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n/an/a 232n/an/an/an/an/an/a



Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence ...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573403
PNG
(CHEMBL4868764)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2c(cccc2n1)C(F)(F)F
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497980
PNG
(CHEMBL3323485)
Show SMILES Cc1scc(c1C)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H16N2OS2/c1-9-10(2)17-7-11(9)12-8-18-13(14-12)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497998
PNG
(CHEMBL3323484)
Show SMILES COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H14F2N2O2S/c1-19-13-9(2-3-10(15)12(13)16)11-8-21-14(17-11)18-4-6-20-7-5-18/h2-3,8H,4-7H2,1H3
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n/an/a 250n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497985
PNG
(CHEMBL3323486)
Show SMILES C1CN(CCO1)c1nc(cs1)-c1ccsc1
Show InChI InChI=1S/C11H12N2OS2/c1-6-15-7-9(1)10-8-16-11(12-10)13-2-4-14-5-3-13/h1,6-8H,2-5H2
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n/an/a 260n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498008
PNG
(CHEMBL3323487)
Show SMILES Oc1c(F)cccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H13FN2O2S/c14-10-3-1-2-9(12(10)17)11-8-19-13(15-11)16-4-6-18-7-5-16/h1-3,8,17H,4-7H2
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n/an/a 270n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497993
PNG
(CHEMBL1623389)
Show SMILES C1CN(CCO1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
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n/an/a 280n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50573405
PNG
(CHEMBL4864867)
Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccc(F)cc2n1
PDB
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TBA

Assay Description
Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00681
BindingDB Entry DOI: 10.7270/Q2736VQV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497984
PNG
(CHEMBL3323488)
Show SMILES COc1cc(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H15FN2O2S/c1-18-13-8-10(15)2-3-11(13)12-9-20-14(16-12)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence ...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497993
PNG
(CHEMBL1623389)
Show SMILES C1CN(CCO1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H14N2OS/c1-2-4-11(5-3-1)12-10-17-13(14-12)15-6-8-16-9-7-15/h1-5,10H,6-9H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497983
PNG
(CHEMBL3323489)
Show SMILES Clc1ncn(-c2csc(n2)N2CCOCC2)c1Br
Show InChI InChI=1S/C10H10BrClN4OS/c11-8-9(12)13-6-16(8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2
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University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469121
PNG
(CHEMBL1210876)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc1-[#8]
Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-11,25H,1H3
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50469122
PNG
(CHEMBL4278637)
Show SMILES [#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1
Show InChI InChI=1S/C21H14O2/c22-15-7-5-6-14(12-15)13-20-16-8-1-3-10-18(16)21(23)19-11-4-2-9-17(19)20/h1-13,22H
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Vancouver Prostate Centre (VPC)

Curated by ChEMBL


Assay Description
Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...


Eur J Med Chem 157: 1164-1173 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.059
BindingDB Entry DOI: 10.7270/Q2183967
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM78435
PNG
(4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-h...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C([O-])=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)/p-1
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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498001
PNG
(CHEMBL1391700)
Show SMILES Fc1ccc(cc1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H13FN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days


J Med Chem 57: 6458-67 (2014)


Article DOI: 10.1021/jm500802j
BindingDB Entry DOI: 10.7270/Q22V2K30
More data for this
Ligand-Target Pair
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