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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50036705   
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))
BDBM50063100
PNG
(6'-trifluoromethylspiro[cyclohexane-1,2'-(1',2',3'...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC4(CCCCC4)CCc3cc12
Show InChI InChI=1S/C18H19F3N2O/c19-18(20,21)13-9-16(24)22-15-10-14-11(8-12(13)15)4-7-17(23-14)5-2-1-3-6-17/h8-10,23H,1-7H2,(H,22,24)
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063110
PNG
(8-Ethyl-1,8,9-trimethyl-4-trifluoromethyl-6,7,8,9-...)
Show SMILES CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1C)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-5-17(2)7-6-11-8-12-13(18(19,20)21)9-16(24)22(3)15(12)10-14(11)23(17)4/h8-10H,5-7H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50094569
PNG
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)
Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
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14n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50063096
PNG
(1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)21(3)14(11)9-13(10)22(16)4/h7-9H,5-6H2,1-4H3
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17n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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22n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063127
PNG
(8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h5-7,20H,3-4H2,1-2H3,(H,19,21)
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26n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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27n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50063128
PNG
(8-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-15(2)5-4-9-6-10-11(16(17,18)19)7-14(22)20-13(10)8-12(9)21-15/h6-8,21H,3-5H2,1-2H3,(H,20,22)
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29n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063097
PNG
(1,6,8,8,9-Pentamethyl-4-trifluoromethyl-8,9-dihydr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O/c1-10-9-17(2,3)23(5)15-8-14-12(6-11(10)15)13(18(19,20)21)7-16(24)22(14)4/h6-9H,1-5H3
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39n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063116
PNG
(1,6,8,8,10-Pentamethyl-4-trifluoromethyl-6,7,8,9-t...)
Show SMILES CC1CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-9-8-17(3,4)22-15-10(2)16-12(6-11(9)15)13(18(19,20)21)7-14(24)23(16)5/h6-7,9,22H,8H2,1-5H3
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40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063113
PNG
(1,6,8,8-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CC1CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-9-8-16(2,3)21-13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(23)22(14)4/h5-7,9,21H,8H2,1-4H3
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46n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063109
PNG
(6-Ethyl-8,8-dimethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-9-8-16(2,3)22-14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-7,9,22H,4,8H2,1-3H3,(H,21,23)
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54n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063111
PNG
(1,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES Cn1c2cc3NC(C)(C)CCc3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-15(2)5-4-9-6-10-11(16(17,18)19)7-14(22)21(3)13(10)8-12(9)20-15/h6-8,20H,4-5H2,1-3H3
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56n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063123
PNG
(4,6,8,8-Tetramethyl-8,9-dihydro-1H-pyrido[3,2-g]qu...)
Show SMILES CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc12
Show InChI InChI=1S/C16H18N2O/c1-9-5-15(19)17-13-7-14-12(6-11(9)13)10(2)8-16(3,4)18-14/h5-8,18H,1-4H3,(H,17,19)
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62n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063101
PNG
(8-Ethyl-1,8-dimethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)22(3)14(11)9-13(10)21-16/h7-9,21H,4-6H2,1-3H3
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69n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063125
PNG
(8-Methyl-8-propyl-4-trifluoromethyl-6,7,8,9-tetrah...)
Show SMILES CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
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69n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063103
PNG
(7,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-4-9-5-10-11(16(17,18)19)6-14(22)20-13(10)7-12(9)21-15(8,2)3/h5-8,21H,4H2,1-3H3,(H,20,22)
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73n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063108
PNG
(6,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-6,8,21H,7H2,1-3H3,(H,20,22)
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76n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063118
PNG
(3a,10-Dimethyl-7-trifluoromethyl-1,2,3a,4,5,10-hex...)
Show SMILES Cn1c2cc3N4CCCC4(C)CCc3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O/c1-17-5-3-7-23(17)14-10-15-12(8-11(14)4-6-17)13(18(19,20)21)9-16(24)22(15)2/h8-10H,3-7H2,1-2H3
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78n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063121
PNG
(1,6,8,8-Tetramethyl-4-trifluoromethyl-8,9-dihydro-...)
Show SMILES CC1=CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-9-8-16(2,3)21-13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(23)22(14)4/h5-8,21H,1-4H3
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81n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063126
PNG
(6,8,8,10-Tetramethyl-4-trifluoromethyl-8,9-dihydro...)
Show SMILES CC1=CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-8-7-16(3,4)22-15-9(2)14-11(5-10(8)15)12(17(18,19)20)6-13(23)21-14/h5-7,22H,1-4H3,(H,21,23)
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82n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063094
PNG
(6,8,8,10-Tetramethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-8-7-16(3,4)22-15-9(2)14-11(5-10(8)15)12(17(18,19)20)6-13(23)21-14/h5-6,8,22H,7H2,1-4H3,(H,21,23)
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85n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18537
PNG
(8,8-dimethyl-4-(trifluoromethyl)-1H,2H,8H,9H-pyrid...)
Show SMILES CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h3-7,20H,1-2H3,(H,19,21)
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86n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063095
PNG
(8,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CCC1(CC)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)6-5-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
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102n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063104
PNG
(6,8,8-Trimethyl-4-trifluoromethyl-8,9-dihydro-1H-p...)
Show SMILES CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-7,21H,1-3H3,(H,20,22)
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115n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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117n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50063105
PNG
((6S,7S)-6,7,8,8-Tetramethyl-4-trifluoromethyl-6,7,...)
Show SMILES C[C@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-8-9(2)16(3,4)22-14-7-13-11(5-10(8)14)12(17(18,19)20)6-15(23)21-13/h5-9,22H,1-4H3,(H,21,23)/t8-,9-/m0/s1
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151n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063106
PNG
(3a-Methyl-7-trifluoromethyl-1,2,3a,4,5,10-hexahydr...)
Show SMILES CC12CCCN1c1cc3[nH]c(=O)cc(c3cc1CC2)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-16-4-2-6-22(16)14-9-13-11(7-10(14)3-5-16)12(17(18,19)20)8-15(23)21-13/h7-9H,2-6H2,1H3,(H,21,23)
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169n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063112
PNG
(7,7,8,8-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CC1(C)Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-15(2)8-9-5-10-11(17(18,19)20)6-14(23)21-13(10)7-12(9)22-16(15,3)4/h5-7,22H,8H2,1-4H3,(H,21,23)
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189n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063117
PNG
(7-Ethyl-8,8-dimethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CCC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-10-5-9-6-11-12(17(18,19)20)7-15(23)21-14(11)8-13(9)22-16(10,2)3/h6-8,10,22H,4-5H2,1-3H3,(H,21,23)
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251n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063102
PNG
(6,7,8,8-Tetramethyl-4-trifluoromethyl-8,9-dihydro-...)
Show SMILES CC1=C(C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-8-9(2)16(3,4)22-14-7-13-11(5-10(8)14)12(17(18,19)20)6-15(23)21-13/h5-7,22H,1-4H3,(H,21,23)
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268n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063115
PNG
(6,7,7,8,8-Pentamethyl-4-trifluoromethyl-6,7,8,9-te...)
Show SMILES CC1c2cc3c(cc(=O)[nH]c3cc2NC(C)(C)C1(C)C)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-9-10-6-11-12(18(19,20)21)7-15(24)22-13(11)8-14(10)23-17(4,5)16(9,2)3/h6-9,23H,1-5H3,(H,22,24)
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358n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063120
PNG
((6R,7S)-6,7,8,8-Tetramethyl-4-trifluoromethyl-6,7,...)
Show SMILES C[C@@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-8-9(2)16(3,4)22-14-7-13-11(5-10(8)14)12(17(18,19)20)6-15(23)21-13/h5-9,22H,1-4H3,(H,21,23)/t8-,9+/m1/s1
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456n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063114
PNG
(6-Isopropyl-8,8-dimethyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC(C)C1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-9(2)12-8-17(3,4)23-15-7-14-11(5-10(12)15)13(18(19,20)21)6-16(24)22-14/h5-7,9,12,23H,8H2,1-4H3,(H,22,24)
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650n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063107
PNG
(1-Ethyl-6,8,8-trimethyl-4-trifluoromethyl-8,9-dihy...)
Show SMILES CCn1c2cc3NC(C)(C)C=C(C)c3cc2c(cc1=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O/c1-5-23-15-8-14-11(10(2)9-17(3,4)22-14)6-12(15)13(7-16(23)24)18(19,20)21/h6-9,22H,5H2,1-4H3
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670n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063124
PNG
(6,8,8,9-Tetramethyl-4-trifluoromethyl-8,9-dihydro-...)
Show SMILES CN1c2cc3[nH]c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-9-8-16(2,3)22(4)14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-8H,1-4H3,(H,21,23)
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695n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063119
PNG
(1,6,8,8,10-Pentamethyl-4-trifluoromethyl-8,9-dihyd...)
Show SMILES CC1=CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O/c1-9-8-17(3,4)22-15-10(2)16-12(6-11(9)15)13(18(19,20)21)7-14(24)23(16)5/h6-8,22H,1-5H3
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874n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 15n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50063096
PNG
(1,8,8,9-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(23)21(3)14(11)9-13(10)22(16)4/h7-9H,5-6H2,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063094
PNG
(6,8,8,10-Tetramethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-8-7-16(3,4)22-15-9(2)14-11(5-10(8)15)12(17(18,19)20)6-13(23)21-14/h5-6,8,22H,7H2,1-4H3,(H,21,23)
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n/an/a 22n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50094569
PNG
(6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...)
Show SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM50063126
PNG
(6,8,8,10-Tetramethyl-4-trifluoromethyl-8,9-dihydro...)
Show SMILES CC1=CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O/c1-8-7-16(3,4)22-15-9(2)14-11(5-10(8)15)12(17(18,19)20)6-13(23)21-14/h5-7,22H,1-4H3,(H,21,23)
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n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063128
PNG
(8-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...)
Show SMILES CCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-15(2)5-4-9-6-10-11(16(17,18)19)7-14(22)20-13(10)8-12(9)21-15/h6-8,21H,3-5H2,1-2H3,(H,20,22)
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n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063110
PNG
(8-Ethyl-1,8,9-trimethyl-4-trifluoromethyl-6,7,8,9-...)
Show SMILES CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1C)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2O/c1-5-17(2)7-6-11-8-12-13(18(19,20)21)9-16(24)22(3)15(12)10-14(11)23(17)4/h8-10H,5-7H2,1-4H3
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n/an/a 24n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063108
PNG
(6,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-7-15(2,3)21-13-6-12-10(4-9(8)13)11(16(17,18)19)5-14(22)20-12/h4-6,8,21H,7H2,1-3H3,(H,20,22)
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n/an/a 26n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063127
PNG
(8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...)
Show SMILES CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-14(2)4-3-8-5-9-10(15(16,17)18)6-13(21)19-12(9)7-11(8)20-14/h5-7,20H,3-4H2,1-2H3,(H,19,21)
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063095
PNG
(8,8-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...)
Show SMILES CCC1(CC)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)6-5-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50063109
PNG
(6-Ethyl-8,8-dimethyl-4-trifluoromethyl-6,7,8,9-tet...)
Show SMILES CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-9-8-16(2,3)22-14-7-13-11(5-10(9)14)12(17(18,19)20)6-15(23)21-13/h5-7,9,22H,4,8H2,1-3H3,(H,21,23)
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
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