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PubMed code 16942875

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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))
BDBM50194351
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H13Cl3F3NOS/c1-17(26,8-27-10-2-3-12(19)14(21)6-10)16-5-9-4-13(20)11(18(22,23)24)7-15(9)25-16/h2-7,25-26H,8H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194342
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H14F6N2O5/c1-18(30,9-33-17(29)11-4-2-3-5-12(11)19(21,22)23)16-7-10-6-15(28(31)32)13(20(24,25)26)8-14(10)27-16/h2-8,27,30H,9H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194331
PNG
(2-hydroxy-2-(5-(2,2,2-trifluoroacetamido)-6-(trifl...)
Show SMILES CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(NC(=O)C(F)(F)F)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H15F9N2O4/c1-19(36,9-37-17(34)11-4-2-3-5-12(11)20(23,24)25)16-7-10-6-15(33-18(35)22(29,30)31)13(21(26,27)28)8-14(10)32-16/h2-8,32,36H,9H2,1H3,(H,33,35)
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n/an/a 150n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194352
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NOS/c1-17(25,9-26-12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194350
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccccc1Cl)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14Cl2F3NOS/c1-17(25,9-26-15-5-3-2-4-12(15)19)16-7-10-6-13(20)11(18(21,22)23)8-14(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194337
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14Cl2F3NOS/c1-17(25,9-26-12-4-2-11(19)3-5-12)16-7-10-6-14(20)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194330
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CSc1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3NOS/c1-17(24,10-25-12-5-3-2-4-6-12)16-8-11-7-14(19)13(18(20,21)22)9-15(11)23-16/h2-9,23-24H,10H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194353
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-2-h...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3NO3/c1-18(26,10-27-17(25)11-5-3-2-4-6-11)16-8-12-7-14(20)13(19(21,22)23)9-15(12)24-16/h2-9,24,26H,10H2,1H3
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n/an/a 440n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194326
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1Cl)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)11-4-2-3-5-13(11)20)16-7-10-6-15(25(28)29)12(19(21,22)23)8-14(10)24-16/h2-8,24,27H,9H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194340
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1cccc(Cl)c1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)10-3-2-4-12(20)5-10)16-7-11-6-15(25(28)29)13(19(21,22)23)8-14(11)24-16/h2-8,24,27H,9H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194345
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO3S/c1-17(25,9-28(26,27)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194327
PNG
(2-(5-cyano-6-(trifluoromethyl)-1H-indol-2-yl)-2-hy...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N2O3/c1-19(27,11-28-18(26)12-5-3-2-4-6-12)17-8-13-7-14(10-24)15(20(21,22)23)9-16(13)25-17/h2-9,25,27H,11H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194354
PNG
(2-(5-chloro-1H-indol-2-yl)-1-(4-chlorophenylthio)p...)
Show SMILES CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C17H15Cl2NOS/c1-17(21,10-22-14-5-2-12(18)3-6-14)16-9-11-8-13(19)4-7-15(11)20-16/h2-9,20-21H,10H2,1H3
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n/an/a 660n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194344
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14ClF3N2O5/c1-18(27,9-30-17(26)10-2-4-12(20)5-3-10)16-7-11-6-15(25(28)29)13(19(21,22)23)8-14(11)24-16/h2-8,24,27H,9H2,1H3
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n/an/a 720n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194346
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H15F3N2O5/c1-18(26,10-29-17(25)11-5-3-2-4-6-11)16-8-12-7-15(24(27)28)13(19(20,21)22)9-14(12)23-16/h2-9,23,26H,10H2,1H3
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n/an/a 820n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194328
PNG
(1-(4-aminophenylthio)-2-(5-chloro-6-(trifluorometh...)
Show SMILES CC(O)(CSc1ccc(N)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H16ClF3N2OS/c1-17(25,9-26-12-4-2-11(23)3-5-12)16-7-10-6-14(19)13(18(20,21)22)8-15(10)24-16/h2-8,24-25H,9,23H2,1H3
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n/an/a 930n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194339
PNG
(CHEMBL376323 | biphenyl-4-carboxylic acid 2-hydrox...)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)-c1ccccc1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C25H19F3N2O5/c1-24(32,14-35-23(31)17-9-7-16(8-10-17)15-5-3-2-4-6-15)22-12-18-11-21(30(33)34)19(25(26,27)28)13-20(18)29-22/h2-13,29,32H,14H2,1H3
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n/an/a 940n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194335
PNG
(1-(3,4-dichlorophenylthio)-2-(5-nitro-6-(trifluoro...)
Show SMILES CC(O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H13Cl2F3N2O3S/c1-17(26,8-29-10-2-3-12(19)13(20)6-10)16-5-9-4-15(25(27)28)11(18(21,22)23)7-14(9)24-16/h2-7,24,26H,8H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194355
PNG
(2-(5-cyano-6-(trifluoromethyl)-1H-indol-2-yl)-2-hy...)
Show SMILES CC(O)(COC(=O)c1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N2O3/c1-19(28,10-29-18(27)11-2-4-14(21)5-3-11)17-7-12-6-13(9-25)15(20(22,23)24)8-16(12)26-17/h2-8,26,28H,10H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
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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n/an/a 1.30E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194348
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)[N+]([O-])=O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H14F3N3O7/c1-18(27,9-32-17(26)10-2-4-12(5-3-10)24(28)29)16-7-11-6-15(25(30)31)13(19(20,21)22)8-14(11)23-16/h2-8,23,27H,9H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194347
PNG
(2-(1-(4-chlorophenylthio)-2-hydroxypropan-2-yl)-6-...)
Show SMILES CC(O)(CSc1ccc(Cl)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N2OS/c1-18(26,10-27-14-4-2-13(20)3-5-14)17-7-11-6-12(9-24)15(19(21,22)23)8-16(11)25-17/h2-8,25-26H,10H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194332
PNG
(2-(1-(4-fluorophenylthio)-2-hydroxypropan-2-yl)-6-...)
Show SMILES CC(O)(CSc1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2OS/c1-18(26,10-27-14-4-2-13(20)3-5-14)17-7-11-6-12(9-24)15(19(21,22)23)8-16(11)25-17/h2-8,25-26H,10H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194349
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C21H20F3N3O5/c1-20(29,11-32-19(28)12-4-6-14(7-5-12)26(2)3)18-9-13-8-17(27(30)31)15(21(22,23)24)10-16(13)25-18/h4-10,25,29H,11H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194333
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES Cc1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H17F3N2O5/c1-11-3-5-12(6-4-11)18(26)30-10-19(2,27)17-8-13-7-16(25(28)29)14(20(21,22)23)9-15(13)24-17/h3-9,24,27H,10H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194341
PNG
(2-(2-hydroxy-1-(phenylthio)propan-2-yl)-6-(trifluo...)
Show SMILES CC(O)(CSc1ccccc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2OS/c1-18(25,11-26-14-5-3-2-4-6-14)17-8-12-7-13(10-23)15(19(20,21)22)9-16(12)24-17/h2-9,24-25H,11H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194329
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C23H23F3N2O5/c1-21(2,3)15-7-5-13(6-8-15)20(29)33-12-22(4,30)19-10-14-9-18(28(31)32)16(23(24,25)26)11-17(14)27-19/h5-11,27,30H,12H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194338
PNG
(2-(5-amino-6-(trifluoromethyl)-1H-indol-2-yl)-2-hy...)
Show SMILES CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H16F6N2O3/c1-18(30,9-31-17(29)11-4-2-3-5-12(11)19(21,22)23)16-7-10-6-14(27)13(20(24,25)26)8-15(10)28-16/h2-8,28,30H,9,27H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194336
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CS(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO2S/c1-17(25,9-27(26)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194336
PNG
(2-(5-chloro-6-(trifluoromethyl)-1H-indol-2-yl)-1-(...)
Show SMILES CC(O)(CS(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4NO2S/c1-17(25,9-27(26)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194334
PNG
(2-hydroxy-2-(5-nitro-6-(trifluoromethyl)-1H-indol-...)
Show SMILES COc1ccc(cc1)C(=O)OCC(C)(O)c1cc2cc(c(cc2[nH]1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C20H17F3N2O6/c1-19(27,10-31-18(26)11-3-5-13(30-2)6-4-11)17-8-12-7-16(25(28)29)14(20(21,22)23)9-15(12)24-17/h3-9,24,27H,10H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50194343
PNG
(2-(1-(4-fluorophenylsulfonyl)-2-hydroxypropan-2-yl...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(C#N)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O3S/c1-18(26,10-29(27,28)14-4-2-13(20)3-5-14)17-7-11-6-12(9-24)15(19(21,22)23)8-16(11)25-17/h2-8,25-26H,10H2,1H3
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n/an/a>6.90E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from rat androgen receptor


Bioorg Med Chem Lett 16: 5646-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.036
BindingDB Entry DOI: 10.7270/Q24Q7VSD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%