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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'frewin' and Initial = 'k'   
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))
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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n/an/a 100n/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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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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n/an/a 160n/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))
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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n/an/a 170n/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))
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))
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 220n/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))
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))
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))
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))
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))
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 300n/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 330n/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))
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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n/an/a 330n/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))
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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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
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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
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 430n/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))
BDBM50051060
PNG
(CHEMBL3318070)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
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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n/an/a 440n/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))
BDBM50051061
PNG
(CHEMBL3318069)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-9-12-8-13(18)5-6-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498002
PNG
(CHEMBL3323470)
Show SMILES C1CN(CCO1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C14H15NOS/c1-2-4-12(5-3-1)13-6-7-14(17-13)15-8-10-16-11-9-15/h1-7H,8-11H2
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n/an/a 510n/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))
BDBM50498014
PNG
(CHEMBL3323472)
Show SMILES Cc1ccc(C)c(c1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3
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n/an/a 520n/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))
BDBM50498002
PNG
(CHEMBL3323470)
Show SMILES C1CN(CCO1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C14H15NOS/c1-2-4-12(5-3-1)13-6-7-14(17-13)15-8-10-16-11-9-15/h1-7H,8-11H2
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n/an/a 520n/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))
BDBM50051060
PNG
(CHEMBL3318070)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-8-12-5-6-13(18)9-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497976
PNG
(CHEMBL3323490)
Show SMILES Clc1ncn(c1Cl)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H10Cl2N4OS/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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n/an/a 570n/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))
BDBM50497991
PNG
(CHEMBL3323471)
Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H13F3N2OS/c15-14(16,17)11-3-1-2-10(8-11)12-9-21-13(18-12)19-4-6-20-7-5-19/h1-3,8-9H,4-7H2
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n/an/a 580n/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))
BDBM50051061
PNG
(CHEMBL3318069)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H17FN2O2/c1-11(2)20(10-14-4-3-7-22-14)17(21)16-9-12-8-13(18)5-6-15(12)19-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497991
PNG
(CHEMBL3323471)
Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C14H13F3N2OS/c15-14(16,17)11-3-1-2-10(8-11)12-9-21-13(18-12)19-4-6-20-7-5-19/h1-3,8-9H,4-7H2
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n/an/a 610n/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))
BDBM50497992
PNG
(CHEMBL1549081)
Show SMILES C1CN(CCS1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H14N2S2/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 620n/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))
BDBM50498014
PNG
(CHEMBL3323472)
Show SMILES Cc1ccc(C)c(c1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C15H18N2OS/c1-11-3-4-12(2)13(9-11)14-10-19-15(16-14)17-5-7-18-8-6-17/h3-4,9-10H,5-8H2,1-2H3
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n/an/a 620n/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))
BDBM93830
PNG
(4-phenyl-2-(4-pyridyl)thiazole | 4-phenyl-2-pyridi...)
Show SMILES c1sc(nc1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C14H10N2S/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12/h1-10H
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n/an/a 630n/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
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n/an/a 650n/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))
BDBM50497976
PNG
(CHEMBL3323490)
Show SMILES Clc1ncn(c1Cl)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H10Cl2N4OS/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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n/an/a 680n/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))
BDBM50497979
PNG
(CHEMBL3323473)
Show SMILES C1CCN(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H16N2S/c1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2
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n/an/a 690n/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))
BDBM50051062
PNG
(CHEMBL3318068)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-7-4-12(3)23-15)18(22)17-8-13-5-6-14(19)9-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498016
PNG
(CHEMBL3323491)
Show SMILES Oc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
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n/an/a 700n/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))
BDBM50497982
PNG
(CHEMBL3323492)
Show SMILES Clc1cn(cn1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H11ClN4OS/c11-8-5-15(7-12-8)9-6-17-10(13-9)14-1-3-16-4-2-14/h5-7H,1-4H2
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n/an/a 720n/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))
BDBM50498016
PNG
(CHEMBL3323491)
Show SMILES Oc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H12F2N2O2S/c14-9-2-1-8(12(18)11(9)15)10-7-20-13(16-10)17-3-5-19-6-4-17/h1-2,7,18H,3-6H2
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n/an/a 800n/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))
BDBM50497981
PNG
(CHEMBL3323493)
Show SMILES Oc1cc(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H13FN2O2S/c14-9-1-2-10(12(17)7-9)11-8-19-13(15-11)16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2
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n/an/a 810n/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))
BDBM50051062
PNG
(CHEMBL3318068)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-7-4-12(3)23-15)18(22)17-8-13-5-6-14(19)9-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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n/an/a 840n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50498000
PNG
(CHEMBL3323474)
Show SMILES C1CN(CCO1)c1csc(c1)-c1ccccc1
Show InChI InChI=1S/C14H15NOS/c1-2-4-12(5-3-1)14-10-13(11-17-14)15-6-8-16-9-7-15/h1-5,10-11H,6-9H2
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n/an/a 840n/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))
BDBM50051064
PNG
(CHEMBL3318066)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-7-6-13(3)9-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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n/an/a 850n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reductio...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497990
PNG
(CHEMBL3323476)
Show SMILES N#Cc1ccc(cc1)-c1ccc(s1)N1CCOCC1
Show InChI InChI=1S/C15H14N2OS/c16-11-12-1-3-13(4-2-12)14-5-6-15(19-14)17-7-9-18-10-8-17/h1-6H,7-10H2
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n/an/a 890n/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))
BDBM50497982
PNG
(CHEMBL3323492)
Show SMILES Clc1cn(cn1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C10H11ClN4OS/c11-8-5-15(7-12-8)9-6-17-10(13-9)14-1-3-16-4-2-14/h5-7H,1-4H2
PDB
MMDB

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Article
PubMed
n/an/a 960n/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))
BDBM50051063
PNG
(CHEMBL3318067)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-14-8-7-12(3)23-14)18(22)16-9-13-5-4-6-15(19)17(13)20-16/h4-9,11,20H,10H2,1-3H3
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50051064
PNG
(CHEMBL3318066)
Show SMILES CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H20N2O2/c1-12(2)20(11-15-5-4-8-22-15)18(21)17-10-14-7-6-13(3)9-16(14)19-17/h4-10,12,19H,11H2,1-3H3
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PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497979
PNG
(CHEMBL3323473)
Show SMILES C1CCN(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H16N2S/c1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2
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n/an/a 1.03E+3n/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))
BDBM50051047
PNG
(CHEMBL3318065)
Show SMILES CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter asse...


J Med Chem 57: 6867-72 (2014)


Article DOI: 10.1021/jm500684r
BindingDB Entry DOI: 10.7270/Q29S1SNR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50497981
PNG
(CHEMBL3323493)
Show SMILES Oc1cc(F)ccc1-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C13H13FN2O2S/c14-9-1-2-10(12(17)7-9)11-8-19-13(15-11)16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2
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PubMed
n/an/a 1.19E+3n/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
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