Found 17 hits for monomerid = 18678 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 11 | -10.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Tennessee at Memphis
| Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (... |
J Med Chem 43: 581-90 (2000)
Article DOI: 10.1021/jm990027x BindingDB Entry DOI: 10.7270/Q2DR2SR2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 11 | -10.1 | n/a | n/a | 1.00E+3 | n/a | n/a | 7.4 | 4 |
University of Tennessee at Memphis
| Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (... |
Biochem Biophys Res Commun 244: 1-4 (1998)
Article DOI: 10.1006/bbrc.1998.8209 BindingDB Entry DOI: 10.7270/Q2930RFC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSC-Scientific Computing Ltd.
Curated by ChEMBL
| Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate |
J Med Chem 48: 917-25 (2005)
Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 11 | -10.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
The Ohio State University
| Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (... |
Bioorg Med Chem Lett 18: 5567-70 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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| 11 | -10.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Tennessee Health Science Center
| Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (... |
Bioorg Med Chem 14: 6525-38 (2006)
Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a... |
J Med Chem 62: 491-511 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00973 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting a... |
J Med Chem 62: 491-511 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00973 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB US Patent
| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Research Foundation
US Patent
| Assay Description Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w... |
US Patent US10806720 (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Displacement of [3H]testosterone from wild type human androgen receptor |
Bioorg Med Chem 16: 6799-812 (2008)
Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB US Patent
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Research Foundation
US Patent
| Assay Description Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD w... |
US Patent US10806720 (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr... |
J Med Chem 62: 491-511 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00973 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor/Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hr... |
J Med Chem 62: 491-511 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00973 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1,3-beta-glucan synthase component GLS2
(Saccharomyces cerevisiae) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysis |
Eur J Med Chem 180: 1-14 (2019)
Article DOI: 10.1016/j.ejmech.2019.07.001 |
More data for this Ligand-Target Pair | |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Eastern Finland
Curated by ChEMBL
| Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass... |
J Med Chem 55: 6316-27 (2012)
Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R188... |
Bioorg Med Chem Lett 26: 3636-40 (2016)
BindingDB Entry DOI: 10.7270/Q2571DX1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Homo sapiens (Human)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependen... |
Bioorg Med Chem 16: 6799-812 (2008)
Article DOI: 10.1016/j.bmc.2008.05.063 BindingDB Entry DOI: 10.7270/Q2MK6CPV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen Receptor
(Rattus norvegicus (Rat)) | BDBM18678
((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
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Patents
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| MMDB PDB Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy and Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition ... |
Eur J Med Chem 118: 230-43 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.052 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |