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28 molecules are shown

Compile data set for download or QSAR
Wt: 338.2
BDBM18601
Wt: 392.2
BDBM18524
Purchase
Wt: 352.2
BDBM18602
Wt: 366.3
BDBM18603
Wt: 366.3
BDBM18604
Wt: 374.2
BDBM18605
Wt: 406.2
BDBM18610
Wt: 406.2
BDBM18611
Wt: 386.7
BDBM18612
Wt: 386.7
BDBM18613
Wt: 338.2
BDBM18535
Wt: 364.2
BDBM18536
Wt: 356.2
BDBM18578
Wt: 390.6
BDBM18579
Wt: 352.2
BDBM18582
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 18601,18524,18602,18603,18604,18605,18610,18611,18612,18613,18535,18536,18578,18579,18582   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (human))
BDBM18605
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluorometh...)
Show SMILES FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)
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0.400n/an/an/a 0.5n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18578
PNG
(6-[bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl...)
Show SMILES FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H11F7N2O/c15-11(16)5-23(6-12(17)18)7-1-2-10-8(3-7)9(14(19,20)21)4-13(24)22-10/h1-4,11-12H,5-6H2,(H,22,24)
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0.5 -13.2n/an/a 0.400n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18601
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-di...)
Show SMILES Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)
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1.40n/an/an/a 0.800n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18524
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
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1.5n/an/an/an/an/an/an/an/a



GTx, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin)


J Med Chem 52: 3597-617 (2009)


Article DOI: 10.1021/jm900280m
BindingDB Entry DOI: 10.7270/Q2GH9HWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM18579
PNG
(6-[(2-chloro-2,2-difluoroethyl)(2,2-difluoroethyl)...)
Show SMILES FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)
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2.30 -12.3n/an/a 0.400n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18524
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromet...)
Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
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4.60 -11.8n/an/a 0.200n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 50: 5049-52 (2007)


Article DOI: 10.1021/jm070231h
BindingDB Entry DOI: 10.7270/Q29Z935Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM18612
PNG
(6-bisalkylamino-2-quinolinone, 8c | 6-{[(2R)-1-chl...)
Show SMILES C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H13ClF6N2O/c1-8(6-16)24(7-14(17,18)19)9-2-3-12-10(4-9)11(15(20,21)22)5-13(25)23-12/h2-5,8H,6-7H2,1H3,(H,23,25)/t8-/m1/s1
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5.40n/an/an/a 3.70n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18602
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1,2-dih...)
Show SMILES CCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C15H14F6N2O/c1-2-9-5-13(24)22-12-4-3-10(6-11(9)12)23(7-14(16,17)18)8-15(19,20)21/h3-6H,2,7-8H2,1H3,(H,22,24)
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5.40n/an/an/a 12n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18536
PNG
(6-[(cyclopropylmethyl)(2,2,2-trifluoroethyl)amino]...)
Show SMILES FC(F)(F)CN(CC1CC1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O/c17-15(18,19)8-24(7-9-1-2-9)10-3-4-13-11(5-10)12(16(20,21)22)6-14(25)23-13/h3-6,9H,1-2,7-8H2,(H,23,25)
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7.10 -11.6n/an/a 2.80n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 49: 6143-6 (2006)


Article DOI: 10.1021/jm060792t
BindingDB Entry DOI: 10.7270/Q26971VV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18535
PNG
(6-[ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluorom...)
Show SMILES CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H12F6N2O/c1-2-22(7-13(15,16)17)8-3-4-11-9(5-8)10(14(18,19)20)6-12(23)21-11/h3-6H,2,7H2,1H3,(H,21,23)
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7.10 -11.6n/an/a 0.400n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


J Med Chem 49: 6143-6 (2006)


Article DOI: 10.1021/jm060792t
BindingDB Entry DOI: 10.7270/Q26971VV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18610
PNG
(6-[(2,2,2-trifluoroethyl)[(2R)-1,1,1-trifluoroprop...)
Show SMILES C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F9N2O/c1-7(14(19,20)21)26(6-13(16,17)18)8-2-3-11-9(4-8)10(15(22,23)24)5-12(27)25-11/h2-5,7H,6H2,1H3,(H,25,27)/t7-/m1/s1
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9.20n/an/an/a 2.30n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18613
PNG
(6-bisalkylamino-2-quinolinone, 8d | 6-{[(2S)-1-chl...)
Show SMILES C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H13ClF6N2O/c1-8(6-16)24(7-14(17,18)19)9-2-3-12-10(4-9)11(15(20,21)22)5-13(25)23-12/h2-5,8H,6-7H2,1H3,(H,23,25)/t8-/m0/s1
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9.80n/an/an/a 3.60n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18582
PNG
(6-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoro...)
Show SMILES CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-12-10(6-9)11(15(19,20)21)7-13(24)22-12/h3-4,6-7H,2,5,8H2,1H3,(H,22,24)
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12 -11.2n/an/a 1.30n/an/a7.437



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18604
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-(propan-2-yl)...)
Show SMILES CC(C)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C16H16F6N2O/c1-9(2)11-6-14(25)23-13-4-3-10(5-12(11)13)24(7-15(17,18)19)8-16(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,23,25)
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21n/a 2n/a 9.10n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18603
PNG
(6-[bis(2,2,2-trifluoroethyl)amino]-4-propyl-1,2-di...)
Show SMILES CCCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C16H16F6N2O/c1-2-3-10-6-14(25)23-13-5-4-11(7-12(10)13)24(8-15(17,18)19)9-16(20,21)22/h4-7H,2-3,8-9H2,1H3,(H,23,25)
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42n/a 36n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM18611
PNG
(6-[(2,2,2-trifluoroethyl)[(2S)-1,1,1-trifluoroprop...)
Show SMILES C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F9N2O/c1-7(14(19,20)21)26(6-13(16,17)18)8-2-3-11-9(4-8)10(15(22,23)24)5-12(27)25-11/h2-5,7H,6H2,1H3,(H,25,27)/t7-/m0/s1
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112n/a 20n/a 50n/an/an/an/a



Ligand Pharmaceuticals Inc.



Assay Description
The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...


Bioorg Med Chem Lett 17: 1527-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.001
BindingDB Entry DOI: 10.7270/Q2XS5SP9
More data for this
Ligand-Target Pair