Compile Data Set for Download or QSAR

Found 243 hits of ic50 for UniProtKB: P19091   

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 (Mus musculus)	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3414-8 (2013) Article DOI: 10.1021/jm3014103 BindingDB Entry DOI: 10.7270/Q2PK0HHM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM148342 (US9682960, EM-9028) Show SMILES CC1(C)N(CCCOc2ccc3[n+]([O-])cccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O3S/c1-24(2)22(33)32(18-7-6-17(15-29)20(14-18)25(26,27)28)23(36)30(24)10-4-12-35-19-8-9-21-16(13-19)5-3-11-31(21)34/h3,5-9,11,13-14H,4,10,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144439 (US9682960, EM-9025) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C26H23FN4O2S/c1-26(2)24(32)31(21-7-4-20(17-28)23(27)16-21)25(34)30(26)14-3-15-33-22-8-5-18(6-9-22)19-10-12-29-13-11-19/h4-13,16H,3,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50329706 ((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143739 (US9682960, EM-8929 | US9682960, EM-9043) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F3N4O3S/c1-26(2)24(35)34(21-7-4-20(17-31)23(16-21)27(28,29)30)25(38)33(26)12-3-15-37-22-8-5-18(6-9-22)19-10-13-32(36)14-11-19/h4-11,13-14,16H,3,12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143735 (US9682960, EM-8900) Show SMILES CC1(C)N(CCCOc2ccc(cc2C(F)(F)F)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H22F6N4O2S/c1-26(2)24(39)38(20-6-4-19(16-35)21(15-20)27(29,30)31)25(41)37(26)12-3-13-40-23-7-5-18(14-22(23)28(32,33)34)17-8-10-36-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144442 (US9682960, EM-9039) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H23ClN4O2S/c1-26(2)24(32)31(21-7-4-20(17-28)23(27)16-21)25(34)30(26)14-3-15-33-22-8-5-18(6-9-22)19-10-12-29-13-11-19/h4-13,16H,3,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM148341 (US9682960, EM-9021) Show SMILES CC1(C)N(CCCOc2ccc3cnccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O2S/c1-24(2)22(33)32(19-6-4-17(14-29)21(13-19)25(26,27)28)23(35)31(24)10-3-11-34-20-7-5-18-15-30-9-8-16(18)12-20/h4-9,12-13,15H,3,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146820 (US9682960, EM-9198) Show SMILES CC1(C)N(CCCOc2ccc(cc2F)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22ClFN4O3/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)12-3-13-35-23-7-5-18(14-22(23)28)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143701 (US9682960, EM-7365) Show SMILES CC1(C)N(CCCOc2ccc(CN3CCC(O)C3)cc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H29F3N4O3S/c1-26(2)24(36)34(20-7-6-19(15-31)23(14-20)27(28,29)30)25(38)33(26)11-3-13-37-22-8-4-18(5-9-22)16-32-12-10-21(35)17-32/h4-9,14,21,35H,3,10-13,16-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144438 (US9682960, EM-9011) Show SMILES CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C26H22F2N4O2S/c1-26(2)24(33)32(19-5-4-18(16-29)22(27)14-19)25(35)31(26)12-3-13-34-20-6-7-21(23(28)15-20)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144449 (US9682960, EM-9049) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2cccnc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H23ClN4O2S/c1-26(2)24(32)31(21-9-6-19(16-28)23(27)15-21)25(34)30(26)13-4-14-33-22-10-7-18(8-11-22)20-5-3-12-29-17-20/h3,5-12,15,17H,4,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146850 (US9682960, EM-9204) Show SMILES Cc1c(F)c(ccc1N1C(=O)N(CCCOc2ccc(cc2F)-c2ccncc2)C(C)(C)C1=O)C#N Show InChI InChI=1S/C27H24F2N4O3/c1-17-22(7-5-20(16-30)24(17)29)33-25(34)27(2,3)32(26(33)35)13-4-14-36-23-8-6-19(15-21(23)28)18-9-11-31-12-10-18/h5-12,15H,4,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143706 (US9682960, EM-8360) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)S(C)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C22H21Cl2N3O4S2/c1-22(2)20(28)27(15-6-5-14(13-25)17(23)11-15)21(32)26(22)9-4-10-31-19-8-7-16(12-18(19)24)33(3,29)30/h5-8,11-12H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50170576 (1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...) Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144441 (US9682960, EM-9037) Show SMILES CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22ClFN4O2S/c1-26(2)24(33)32(19-5-4-18(16-29)22(27)14-19)25(35)31(26)12-3-13-34-20-6-7-21(23(28)15-20)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50170573 (3-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)...) Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H43NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,26,29-32H,8-9,16-18H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation				Bioorg Med Chem Lett 15: 4327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.06.044 BindingDB Entry DOI: 10.7270/Q2SX6CS6
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM145918 (US9682960, EM-9120) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H23ClN4O3S/c1-26(2)24(32)31(21-7-4-20(17-28)23(27)16-21)25(35)30(26)12-3-15-34-22-8-5-18(6-9-22)19-10-13-29(33)14-11-19/h4-11,13-14,16H,3,12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143705 (US9682960, EM-7148) Show SMILES CCNCc1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C24H26Cl2N4O2S/c1-4-28-15-16-6-9-21(20(26)12-16)32-11-5-10-29-23(33)30(22(31)24(29,2)3)18-8-7-17(14-27)19(25)13-18/h6-9,12-13,28H,4-5,10-11,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143710 (US9682960, EM-9156 | US9682960, EM-9288) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O4/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)10-3-13-36-23-7-5-18(14-22(23)28)17-8-11-30(35)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143702 (US9682960, EM-7105) Show SMILES CN(C)Cc1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H27F3N4O2S/c1-24(2)22(33)32(19-9-8-18(15-29)21(14-19)25(26,27)28)23(35)31(24)12-5-13-34-20-10-6-17(7-11-20)16-30(3)4/h6-11,14H,5,12-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM148337 (US9682960, EM-8990) Show SMILES CC1(C)N(CCCOc2ccc3ncccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O2S/c1-24(2)22(33)32(18-7-6-17(15-29)20(14-18)25(26,27)28)23(35)31(24)11-4-12-34-19-8-9-21-16(13-19)5-3-10-30-21/h3,5-10,13-14H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146849 (US9682960, EM-9201) Show SMILES Fc1cc(OCCCN2C(=O)N(C(=O)C22CCCC2)c2ccc(C#N)c(Cl)c2)ccc1-c1ccncc1 Show InChI InChI=1S/C28H24ClFN4O3/c29-24-16-21(5-4-20(24)18-31)34-26(35)28(10-1-2-11-28)33(27(34)36)14-3-15-37-22-6-7-23(25(30)17-22)19-8-12-32-13-9-19/h4-9,12-13,16-17H,1-3,10-11,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM148339 (US9682960, EM-9010) Show SMILES CC1(C)N(CCCOc2ccc3ncncc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C24H20F3N5O2S/c1-23(2)21(33)32(17-5-4-15(12-28)19(11-17)24(25,26)27)22(35)31(23)8-3-9-34-18-6-7-20-16(10-18)13-29-14-30-20/h4-7,10-11,13-14H,3,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144727 (US9682960, EM-9055) Show SMILES CC1(C)N(CCCOc2ccc(cc2F)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H22F4N4O3/c1-26(2)24(36)35(20-6-4-19(16-32)21(15-20)27(29,30)31)25(37)34(26)12-3-13-38-23-7-5-18(14-22(23)28)17-8-10-33-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146873 (US9682960, EM-9221) Show SMILES Cc1cc(OCCCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2)ccc1-c1cc[n+]([O-])cc1 Show InChI InChI=1S/C27H25ClN4O4/c1-18-15-22(7-8-23(18)19-9-12-30(35)13-10-19)36-14-4-11-31-26(34)32(25(33)27(31,2)3)21-6-5-20(17-29)24(28)16-21/h5-10,12-13,15-16H,4,11,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM145870 (US9682960, EM-9092) Show SMILES CC1(C)N(CCCOc2ccc(nc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C26H22F3N5O2S/c1-25(2)23(35)34(19-5-4-18(15-30)21(14-19)26(27,28)29)24(37)33(25)12-3-13-36-20-6-7-22(32-16-20)17-8-10-31-11-9-17/h4-11,14,16H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144728 (US9682960, EM-9066) Show SMILES CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H22F4N4O3/c1-26(2)24(36)35(19-5-4-18(16-32)22(14-19)27(29,30)31)25(37)34(26)12-3-13-38-20-6-7-21(23(28)15-20)17-8-10-33-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM148294 (US9682960, EM-8821) Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(C)(C)C1=O Show InChI InChI=1S/C29H24F6N4O2S/c1-17-23(8-5-19(16-36)24(17)29(33,34)35)39-25(40)27(2,3)38(26(39)42)13-4-14-41-20-6-7-21(18-9-11-37-12-10-18)22(15-20)28(30,31)32/h5-12,15H,4,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143707 (US9682960, EM-9150 | US9682960, EM-9287) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)12-3-13-35-23-7-5-18(14-22(23)28)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM145917 (US9682960, EM-9119) Show SMILES CC1(C)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22ClFN4O3S/c1-26(2)24(33)32(19-5-4-18(16-29)22(27)14-19)25(36)31(26)10-3-13-35-20-6-7-21(23(28)15-20)17-8-11-30(34)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144754 (US9682960, EM-9067) Show SMILES CC1(C)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H22F4N4O4/c1-26(2)24(36)35(19-5-4-18(16-32)22(14-19)27(29,30)31)25(37)34(26)10-3-13-39-20-6-7-21(23(28)15-20)17-8-11-33(38)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144722 (US9682960, EM-9050) Show SMILES CC1(C)N(CCCOc2ccc(cn2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C26H22F3N5O2S/c1-25(2)23(35)34(20-6-4-18(15-30)21(14-20)26(27,28)29)24(37)33(25)12-3-13-36-22-7-5-19(16-32-22)17-8-10-31-11-9-17/h4-11,14,16H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50329707 ((S)-3-(4-(3-(4-((S)-2-hydroxy-3,3-dimethylbutoxy)-...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143707 (US9682960, EM-9150 | US9682960, EM-9287) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)12-3-13-35-23-7-5-18(14-22(23)28)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143707 (US9682960, EM-9150 | US9682960, EM-9287) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)12-3-13-35-23-7-5-18(14-22(23)28)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143733 (US9682960, EM-8890) Show SMILES CC1(C)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H22F6N4O2S/c1-26(2)24(39)38(19-5-4-18(16-35)22(14-19)27(29,30)31)25(41)37(26)12-3-13-40-20-6-7-21(17-8-10-36-11-9-17)23(15-20)28(32,33)34/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143707 (US9682960, EM-9150 | US9682960, EM-9287) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O3/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)12-3-13-35-23-7-5-18(14-22(23)28)17-8-10-30-11-9-17/h4-11,14-15H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143710 (US9682960, EM-9156 | US9682960, EM-9288) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O4/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)10-3-13-36-23-7-5-18(14-22(23)28)17-8-11-30(35)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50329704 ((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...) Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50329702 ((R)-1-(4-(3-(4-(2,3-dihydroxypropoxy)-3-methylphen...) Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H40O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,29-30H,8-9,16-18H2,1-7H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...				Bioorg Med Chem Lett 20: 6661-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.011 BindingDB Entry DOI: 10.7270/Q20K29J4
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143710 (US9682960, EM-9156 | US9682960, EM-9288) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O4/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)10-3-13-36-23-7-5-18(14-22(23)28)17-8-11-30(35)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146851 (US9682960, EM-9205) Show SMILES Cc1c(F)c(ccc1N1C(=O)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(C)(C)C1=O)C#N Show InChI InChI=1S/C27H24F2N4O3/c1-17-23(8-5-19(16-30)24(17)29)33-25(34)27(2,3)32(26(33)35)13-4-14-36-20-6-7-21(22(28)15-20)18-9-11-31-12-10-18/h5-12,15H,4,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM145916 (US9682960, EM-9118) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H23ClN4O4/c1-26(2)24(32)31(21-7-4-20(17-28)23(27)16-21)25(33)30(26)12-3-15-35-22-8-5-18(6-9-22)19-10-13-29(34)14-11-19/h4-11,13-14,16H,3,12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM143710 (US9682960, EM-9156 | US9682960, EM-9288) Show SMILES CC1(C)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N4O4/c1-26(2)24(33)32(20-6-4-19(16-29)21(27)15-20)25(34)31(26)10-3-13-36-23-7-5-18(14-22(23)28)17-8-11-30(35)12-9-17/h4-9,11-12,14-15H,3,10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM144926 (US9682960, EM-9070) Show SMILES CC1(C)N(CCCCOc2ccc(cc2)-c2cccnc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N4O2S/c1-27(2)25(36)35(22-10-7-20(17-32)24(16-22)28(29,30)31)26(38)34(27)14-3-4-15-37-23-11-8-19(9-12-23)21-6-5-13-33-18-21/h5-13,16,18H,3-4,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146917 (US9682960, EM-9267) Show SMILES CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2F)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C26H22ClFN4O3/c1-26(2)24(33)32(19-7-4-18(15-29)22(27)14-19)25(34)31(26)12-3-13-35-20-8-5-17(6-9-20)21-10-11-30-16-23(21)28/h4-11,14,16H,3,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM146885 (US9682960, EM-9227) Show SMILES CC1(C)N(Cc2ccc(c(F)c2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O2/c1-24(2)22(34)33(18-5-4-17(13-30)20(12-18)25(27,28)29)23(35)32(24)14-15-3-6-19(21(26)11-15)16-7-9-31-10-8-16/h3-12H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM148299 (US9682960, EM-8889) Show SMILES Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(c(Cl)c2)-c2ccncc2)C(C)(C)C1=O Show InChI InChI=1S/C28H24ClF3N4O2S/c1-17-23(8-5-19(16-33)24(17)28(30,31)32)36-25(37)27(2,3)35(26(36)39)13-4-14-38-20-6-7-21(22(29)15-20)18-9-11-34-12-10-18/h5-12,15H,4,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	25
ENDORECHERCHE, INC. US Patent					Assay Description Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted wit...				US Patent US9682960 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5708
					More data for this Ligand-Target Pair

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