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8 similar compounds to monomer 50355936

Compile data set for download or QSAR
Wt: 293.3
BDBM50258752
Wt: 335.3
BDBM50355945
Wt: 355.4
BDBM50355948
Wt: 265.3
BDBM50355944
Wt: 291.3
BDBM50355939
Wt: 307.3
BDBM50355941
Wt: 349.4
BDBM50355942
Wt: 293.3
BDBM50355943

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50258752,50355945,50355948,50355944,50355939,50355941,50355942,50355943   
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))
BDBM50258752
PNG
(2-(4-(dimethylamino)-6-nitro-1,2,3,4-tetrahydroqui...)
Show SMILES CN(C)C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3
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14.9n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355941
PNG
(CHEMBL1910409)
Show SMILES CCCN[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C16H25N3O3/c1-4-7-17-14-9-15(16(2,3)10-20)18-13-6-5-11(19(21)22)8-12(13)14/h5-6,8,14-15,17-18,20H,4,7,9-10H2,1-3H3/t14-,15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355942
PNG
(CHEMBL1910410)
Show SMILES CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C19H31N3O3/c1-5-9-21(10-6-2)17-12-18(19(3,4)13-23)20-16-8-7-14(22(24)25)11-15(16)17/h7-8,11,17-18,20,23H,5-6,9-10,12-13H2,1-4H3/t17-,18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355942
PNG
(CHEMBL1910410)
Show SMILES CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C19H31N3O3/c1-5-9-21(10-6-2)17-12-18(19(3,4)13-23)20-16-8-7-14(22(24)25)11-15(16)17/h7-8,11,17-18,20,23H,5-6,9-10,12-13H2,1-4H3/t17-,18-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355944
PNG
(CHEMBL1910413)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](N)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1S/C13H19N3O3/c1-13(2,7-17)12-6-10(14)9-5-8(16(18)19)3-4-11(9)15-12/h3-5,10,12,15,17H,6-7,14H2,1-2H3/t10-,12-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355945
PNG
(CHEMBL1910414)
Show SMILES CC(C)C(=O)N[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C17H25N3O4/c1-10(2)16(22)19-14-8-15(17(3,4)9-21)18-13-6-5-11(20(23)24)7-12(13)14/h5-7,10,14-15,18,21H,8-9H2,1-4H3,(H,19,22)/t14-,15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355948
PNG
(CHEMBL1910417)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1S/C20H25N3O3/c1-20(2,13-24)19-11-18(21-12-14-6-4-3-5-7-14)16-10-15(23(25)26)8-9-17(16)22-19/h3-10,18-19,21-22,24H,11-13H2,1-2H3/t18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355942
PNG
(CHEMBL1910410)
Show SMILES CCCN(CCC)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C19H31N3O3/c1-5-9-21(10-6-2)17-12-18(19(3,4)13-23)20-16-8-7-14(22(24)25)11-15(16)17/h7-8,11,17-18,20,23H,5-6,9-10,12-13H2,1-4H3/t17-,18-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355939
PNG
(CHEMBL1910407)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2NCC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1S/C15H21N3O3/c1-15(2,8-19)14-10-5-6-16-13(10)11-7-9(18(20)21)3-4-12(11)17-14/h3-4,7,10,13-14,16-17,19H,5-6,8H2,1-2H3/t10-,13+,14+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355943
PNG
(CHEMBL1910412)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O
Show InChI InChI=1S/C14H19N3O4/c1-14(2,7-18)13-6-12(15-8-19)10-5-9(17(20)21)3-4-11(10)16-13/h3-5,8,12-13,16,18H,6-7H2,1-2H3,(H,15,19)/t12-,13-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair