Compile Data Set for Download or QSAR

Found 1876 hits with Last Name = 'aja' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50049236 ((+/-)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 27659 histidine-tagged full length CrtM expressed in Escherichia coli BL21(DE3) cells assessed as decrease i...				J Med Chem 60: 3221-3240 (2017) Article DOI: 10.1021/acs.jmedchem.6b01243 BindingDB Entry DOI: 10.7270/Q2M90BXJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529668 (Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.80	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50529668 (Enobosarm | Gtx-024 | MK-2866 | Ostarine | US10806...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.80	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-3 (Homo sapiens (Human))	BDBM50133876 ((S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acet...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C32H32N2O7/c1-20(2)31(34-29(36)19-41-28-16-8-12-22-10-4-6-14-24(22)28)32(39)33-25(17-30(37)38)26(35)18-40-27-15-7-11-21-9-3-5-13-23(21)27/h3-16,20,25,31H,17-19H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t25-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was tested against caspase-3 (Csp-3)				Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00943 BindingDB Entry DOI: 10.7270/Q2DV1PHB
					More data for this Ligand-Target Pair
Tryptase delta (Homo sapiens (Human))	BDBM50475863 (CHEMBL209054) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(O)COc1ccc(F)cc1)C(F)(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C25H18F5N5O3/c1-35-19-8-12(22(37)33-20(36)11-38-15-5-3-13(26)4-6-15)2-7-17(19)32-24(35)25(29,30)23-31-18-10-14(27)9-16(28)21(18)34-23/h2-10,20,36H,11H2,1H3,(H,31,34)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of mast cell tryptase				Bioorg Med Chem Lett 16: 4053-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.003 BindingDB Entry DOI: 10.7270/Q26H4M69
					More data for this Ligand-Target Pair
Tryptase delta (Homo sapiens (Human))	BDBM50475860 (CHEMBL424699) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NCCOc1ccc(F)cc1)C(F)(F)c1nc2c(F)cc(F)c(O)c2[nH]1 Show InChI InChI=1S/C25H18F5N5O3/c1-35-18-10-12(22(37)31-8-9-38-14-5-3-13(26)4-6-14)2-7-17(18)32-24(35)25(29,30)23-33-19-15(27)11-16(28)21(36)20(19)34-23/h2-7,10-11,36H,8-9H2,1H3,(H,31,37)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of mast cell tryptase				Bioorg Med Chem Lett 16: 4053-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.003 BindingDB Entry DOI: 10.7270/Q26H4M69
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529654 (CHEMBL4554646) Show SMILES C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F3N4O4/c1-19(29,11-26-7-6-12-3-5-15(27(30)31)9-17(12)26)18(28)25-14-4-2-13(10-24)16(8-14)20(21,22)23/h2-9,29H,11H2,1H3,(H,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529654 (CHEMBL4554646) Show SMILES C[C@](O)(Cn1ccc2ccc(cc12)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F3N4O4/c1-19(29,11-26-7-6-12-3-5-15(27(30)31)9-17(12)26)18(28)25-14-4-2-13(10-24)16(8-14)20(21,22)23/h2-9,29H,11H2,1H3,(H,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529659 (CHEMBL4475563) Show SMILES C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H18F5N3O2/c1-25(36,24(35)33-19-7-4-16(13-32)21(12-19)26(29,30)31)14-34-9-8-20-22(28)10-17(11-23(20)34)15-2-5-18(27)6-3-15/h2-12,36H,14H2,1H3,(H,33,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529659 (CHEMBL4475563) Show SMILES C[C@](O)(Cn1ccc2c(F)cc(cc12)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H18F5N3O2/c1-25(36,24(35)33-19-7-4-16(13-32)21(12-19)26(29,30)31)14-34-9-8-20-22(28)10-17(11-23(20)34)15-2-5-18(27)6-3-15/h2-12,36H,14H2,1H3,(H,33,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529672 (CHEMBL4530573) Show SMILES C[C@](O)(CN1CCc2cc(Cl)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF4N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529672 (CHEMBL4530573) Show SMILES C[C@](O)(CN1CCc2cc(Cl)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF4N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Caspase-1 (Mus musculus)	BDBM50133876 ((S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acet...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C32H32N2O7/c1-20(2)31(34-29(36)19-41-28-16-8-12-22-10-4-6-14-24(22)28)32(39)33-25(17-30(37)38)26(35)18-40-27-15-7-11-21-9-3-5-13-23(21)27/h3-16,20,25,31H,17-19H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t25-,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was tested against Murine caspase-1 (mCsp-1)				Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529676 (CHEMBL4539953) Show SMILES C[C@](O)(CN1CCc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529676 (CHEMBL4539953) Show SMILES C[C@](O)(CN1CCc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50529647 (CHEMBL4584527 | US10806720, Compound 17 | US112305...) Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00439 BindingDB Entry DOI: 10.7270/Q2HH6PTR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529647 (CHEMBL4584527 | US10806720, Compound 17 | US112305...) Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529647 (CHEMBL4584527 | US10806720, Compound 17 | US112305...) Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C#N)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H21F3N4O2/c1-25(35,24(34)32-20-10-8-19(15-31)23(12-20)26(27,28)29)16-33(2)21-11-9-18(14-30)22(13-21)17-6-4-3-5-7-17/h3-13,35H,16H2,1-2H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529660 (CHEMBL4439702) Show SMILES C[C@](O)(Cn1ccc2c(cccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H20F3N3O2/c1-25(34,24(33)31-19-11-10-18(15-30)22(14-19)26(27,28)29)16-32-13-12-21-20(8-5-9-23(21)32)17-6-3-2-4-7-17/h2-14,34H,16H2,1H3,(H,31,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529660 (CHEMBL4439702) Show SMILES C[C@](O)(Cn1ccc2c(cccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H20F3N3O2/c1-25(34,24(33)31-19-11-10-18(15-30)22(14-19)26(27,28)29)16-32-13-12-21-20(8-5-9-23(21)32)17-6-3-2-4-7-17/h2-14,34H,16H2,1H3,(H,31,33)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529653 (CHEMBL4520679) Show SMILES C[C@](O)(Cn1ccc2c(F)c(ccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-18-8-7-17(14-31)21(13-18)26(28,29)30)15-33-12-11-20-22(33)10-9-19(23(20)27)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529653 (CHEMBL4520679) Show SMILES C[C@](O)(Cn1ccc2c(F)c(ccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-18-8-7-17(14-31)21(13-18)26(28,29)30)15-33-12-11-20-22(33)10-9-19(23(20)27)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50548634 (CHEMBL4778795) Show SMILES C[C@](O)(Cn1cc(cn1)C#N)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00943 BindingDB Entry DOI: 10.7270/Q2DV1PHB
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50133889 ((S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acet...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C32H32N2O7/c1-20(2)31(34-29(36)19-41-28-13-7-11-22-9-5-6-12-25(22)28)32(39)33-26(17-30(37)38)27(35)18-40-24-15-14-21-8-3-4-10-23(21)16-24/h3-16,20,26,31H,17-19H2,1-2H3,(H,33,39)(H,34,36)(H,37,38)/t26-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was tested against caspase-3 (Csp-3)				Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50133879 ((S)-5-(Biphenyl-4-yloxy)-3-{(S)-3-methyl-2-[2-(nap...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H34N2O7/c1-22(2)33(36-31(38)21-43-30-14-8-12-25-11-6-7-13-27(25)30)34(41)35-28(19-32(39)40)29(37)20-42-26-17-15-24(16-18-26)23-9-4-3-5-10-23/h3-18,22,28,33H,19-21H2,1-2H3,(H,35,41)(H,36,38)(H,39,40)/t28-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity of the compound was tested against caspase-3 (Csp-3)				Bioorg Med Chem Lett 13: 3623-6 (2003) BindingDB Entry DOI: 10.7270/Q21835WJ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529675 (CHEMBL4469605) Show SMILES C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F5N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529675 (CHEMBL4469605) Show SMILES C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F5N3O2/c1-19(30,10-28-5-4-11-6-15(21)16(22)8-17(11)28)18(29)27-13-3-2-12(9-26)14(7-13)20(23,24)25/h2-3,6-8,30H,4-5,10H2,1H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	124	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529674 (CHEMBL4460567) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-19-8-7-18(14-31)21(12-19)26(28,29)30)15-33-10-9-17-11-22(27)20(13-23(17)33)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	124	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529657 (CHEMBL4447959) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H19ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-13,32H,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529657 (CHEMBL4447959) Show SMILES C[C@](O)(Cn1ccc2cc(F)c(cc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H19ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-13,32H,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529656 (CHEMBL4451795) Show SMILES C[C@](O)(Cn1cc(-c2ccccc2)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H19ClFN3O2/c1-25(32,24(31)29-19-9-7-17(13-28)22(26)12-19)15-30-14-21(16-5-3-2-4-6-16)20-11-18(27)8-10-23(20)30/h2-12,14,32H,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529656 (CHEMBL4451795) Show SMILES C[C@](O)(Cn1cc(-c2ccccc2)c2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C25H19ClFN3O2/c1-25(32,24(31)29-19-9-7-17(13-28)22(26)12-19)15-30-14-21(16-5-3-2-4-6-16)20-11-18(27)8-10-23(20)30/h2-12,14,32H,15H2,1H3,(H,29,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529673 (CHEMBL4590504) Show SMILES C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-7-6-12-2-4-14(21)8-17(12)24)18(25)23-15-5-3-13(10-22)16(20)9-15/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	156	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529673 (CHEMBL4590504) Show SMILES C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-7-6-12-2-4-14(21)8-17(12)24)18(25)23-15-5-3-13(10-22)16(20)9-15/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	156	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529655 (CHEMBL4438211) Show SMILES C[C@](O)(CN1CCc2c1cccc2F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F4N3O2/c1-19(29,11-27-8-7-14-16(21)3-2-4-17(14)27)18(28)26-13-6-5-12(10-25)15(9-13)20(22,23)24/h2-6,9,29H,7-8,11H2,1H3,(H,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529655 (CHEMBL4438211) Show SMILES C[C@](O)(CN1CCc2c1cccc2F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F4N3O2/c1-19(29,11-27-8-7-14-16(21)3-2-4-17(14)27)18(28)26-13-6-5-12(10-25)15(9-13)20(22,23)24/h2-6,9,29H,7-8,11H2,1H3,(H,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50548633 (CHEMBL4739997 | US11230523, Compound 1060) Show SMILES C[C@](O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00943 BindingDB Entry DOI: 10.7270/Q2DV1PHB
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529671 (CHEMBL4449952) Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H17BrClN3O2/c1-19(26,11-24-7-6-12-8-14(20)3-5-17(12)24)18(25)23-15-4-2-13(10-22)16(21)9-15/h2-5,8-9,26H,6-7,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529671 (CHEMBL4449952) Show SMILES C[C@](O)(CN1CCc2cc(Br)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H17BrClN3O2/c1-19(26,11-24-7-6-12-8-14(20)3-5-17(12)24)18(25)23-15-4-2-13(10-22)16(21)9-15/h2-5,8-9,26H,6-7,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529665 (CHEMBL4474096) Show SMILES C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-2-4-14(21)8-17(12)27)18(28)26-15-5-3-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	212	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529665 (CHEMBL4474096) Show SMILES C[C@](O)(Cn1ccc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-2-4-14(21)8-17(12)27)18(28)26-15-5-3-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	212	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50548645 (CHEMBL4777131) Show SMILES C[C@](O)(Cn1cc(cn1)-c1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00943 BindingDB Entry DOI: 10.7270/Q2DV1PHB
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50566810 (CHEMBL4853827) Show SMILES C[C@](O)(CCc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00439 BindingDB Entry DOI: 10.7270/Q2HH6PTR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529669 (CHEMBL4521365) Show SMILES C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H16ClF2N3O2/c1-19(27,18(26)24-13-3-2-12(9-23)14(20)7-13)10-25-5-4-11-6-15(21)16(22)8-17(11)25/h2-3,6-8,27H,4-5,10H2,1H3,(H,24,26)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529669 (CHEMBL4521365) Show SMILES C[C@](O)(CN1CCc2cc(F)c(F)cc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H16ClF2N3O2/c1-19(27,18(26)24-13-3-2-12(9-23)14(20)7-13)10-25-5-4-11-6-15(21)16(22)8-17(11)25/h2-3,6-8,27H,4-5,10H2,1H3,(H,24,26)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529644 (CHEMBL4474118) Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-7-6-12-8-14(21)3-5-17(12)24)18(25)23-15-4-2-13(10-22)16(20)9-15/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	253	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50529644 (CHEMBL4474118) Show SMILES C[C@](O)(Cn1ccc2cc(F)ccc12)C(=O)Nc1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H15ClFN3O2/c1-19(26,11-24-7-6-12-8-14(21)3-5-17(12)24)18(25)23-15-4-2-13(10-22)16(20)9-15/h2-9,26H,11H2,1H3,(H,23,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	253	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 BindingDB Entry DOI: 10.7270/Q2GF0XZ5
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM468329 (US10806720, Compound 1010 | US11230523, Compound 1...) Show SMILES C[C@](O)(Cn1ccc(c1)-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H17F4N3O2/c1-21(31,13-29-9-8-16(12-29)14-2-5-17(23)6-3-14)20(30)28-18-7-4-15(11-27)19(10-18)22(24,25)26/h2-10,12,31H,13H2,1H3,(H,28,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00439 BindingDB Entry DOI: 10.7270/Q2HH6PTR
					More data for this Ligand-Target Pair

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