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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'akinci' and Initial = 'm'   
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


(Rattus norvegicus (Rat))
BDBM50094575
PNG
(4-[(1R,2R,6R,7R,8R)-8-hydroxytricyclo[5.2.1.0^{2,6...)
Show SMILES O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1
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450n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
In vivo binding affinity fot cytosolic androgen receptor


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50368314
PNG
(ZANOTERONE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
In vivo binding affinity fot cytosolic androgen receptor


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094570
PNG
((3aS) -4-(5-Hydroxy-5-methyl-octahydro-4,7-methano...)
Show SMILES C[C@]1(O)C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C17H24O2/c1-17(19)9-12-8-16(17)15-7-11(6-14(12)15)10-2-4-13(18)5-3-10/h12,14-16,19H,2-9H2,1H3/t12-,14-,15-,16-,17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094568
PNG
(4-[(1S,2S,6S,7S,8S)-8-hydroxytricyclo[5.2.1.0^{2,6...)
Show SMILES O[C@H]1C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094576
PNG
(4-[(1R,2R,6R,7R,8S)-8-hydroxytricyclo[5.2.1.0^{2,6...)
Show SMILES O[C@H]1C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094579
PNG
((3aS)-4-(5-Hydroxy-5-vinyl-octahydro-4,7-methano-i...)
Show SMILES O[C@]1(C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1)C=C
Show InChI InChI=1S/C18H24O2/c1-2-18(20)10-13-9-17(18)16-8-12(7-15(13)16)11-3-5-14(19)6-4-11/h2,13,15-17,20H,1,3-10H2/t13-,15-,16-,17-,18-/m0/s1
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n/an/a 9.73E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094578
PNG
(4-[(1S,2S,6S,7S,8R)-8-hydroxytricyclo[5.2.1.0^{2,6...)
Show SMILES O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16+/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094580
PNG
((3aS) -4-(5-Ethynyl-5-hydroxy-octahydro-4,7-methan...)
Show SMILES O[C@]1(C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1)C#C
Show InChI InChI=1S/C18H22O2/c1-2-18(20)10-13-9-17(18)16-8-12(7-15(13)16)11-3-5-14(19)6-4-11/h1,13,15-17,20H,3-10H2/t13-,15-,16-,17-,18-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094572
PNG
((3aS)-2-(4-Oxo-cyclohexylidene)-octahydro-4,7-meth...)
Show SMILES O=C1C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H20O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-15H,1-8H2/t11-,13-,14-,15-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094574
PNG
((3aS) -4-(5-Hydroxy-5-trifluoromethyl-octahydro-4,...)
Show SMILES O[C@]1(C[C@@H]2C[C@H]1[C@H]1CC(C[C@@H]21)=C1CCC(=O)CC1)C(F)(F)F
Show InChI InChI=1S/C17H21F3O2/c18-17(19,20)16(22)8-11-7-15(16)14-6-10(5-13(11)14)9-1-3-12(21)4-2-9/h11,13-15,22H,1-8H2/t11-,13-,14-,15-,16-/m0/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
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 1.80E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of [3H]-R-1881 binding to rat ventral prostrate cytosolic androgen receptor


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094571
PNG
((3aR)-4-(5-Hydroxy-5-methyl-octahydro-4,7-methano-...)
Show SMILES C[C@@]1(O)C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C17H24O2/c1-17(19)9-12-8-16(17)15-7-11(6-14(12)15)10-2-4-13(18)5-3-10/h12,14-16,19H,2-9H2,1H3/t12-,14-,15-,16-,17-/m1/s1
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n/an/a 2.74E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094566
PNG
((3aR) -2-(4-Oxo-cyclohexylidene)-octahydro-4,7-met...)
Show SMILES O=C1C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H20O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-15H,1-8H2/t11-,13-,14-,15-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094575
PNG
(4-[(1R,2R,6R,7R,8R)-8-hydroxytricyclo[5.2.1.0^{2,6...)
Show SMILES O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1
Show InChI InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1
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n/an/a 3.59E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094567
PNG
((3aR)-4-(5-Hydroxy-5-trifluoromethyl-octahydro-4,7...)
Show SMILES O[C@@]1(C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1)C(F)(F)F
Show InChI InChI=1S/C17H21F3O2/c18-17(19,20)16(22)8-11-7-15(16)14-6-10(5-13(11)14)9-1-3-12(21)4-2-9/h11,13-15,22H,1-8H2/t11-,13-,14-,15-,16-/m1/s1
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n/an/a 4.12E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094577
PNG
((3aR)-4-(5-Ethynyl-5-hydroxy-octahydro-4,7-methano...)
Show SMILES O[C@@]1(C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1)C#C
Show InChI InChI=1S/C18H22O2/c1-2-18(20)10-13-9-17(18)16-8-12(7-15(13)16)11-3-5-14(19)6-4-11/h1,13,15-17,20H,3-10H2/t13-,15-,16-,17-,18-/m1/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50094581
PNG
((3aR)-4-(5-Hydroxy-5-vinyl-octahydro-4,7-methano-i...)
Show SMILES O[C@@]1(C[C@H]2C[C@@H]1[C@@H]1CC(C[C@H]21)=C1CCC(=O)CC1)C=C
Show InChI InChI=1S/C18H24O2/c1-2-18(20)10-13-9-17(18)16-8-12(7-15(13)16)11-3-5-14(19)6-4-11/h2,13,15-17,20H,1,3-10H2/t13-,15-,16-,17-,18-/m1/s1
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n/an/a 6.25E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.


J Med Chem 43: 4629-35 (2001)


Article DOI: 10.1021/jm0000968
BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair