Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'hasuoka' and Initial = 'a'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50238125 (CHEMBL4090028) Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C13H15ClN2O/c1-8-11(4-3-10(7-15)13(8)14)16-6-5-12(17)9(16)2/h3-4,9,12,17H,5-6H2,1-2H3/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase r...				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238124 (CHEMBL4060271) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C14H17ClN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase r...				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50238127 (CHEMBL4092535) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of rat liver pyruvate kinase (PK-L) at 7.2 mM				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238126 (CHEMBL4068946) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H15ClN2O/c1-9-13(2,17)5-6-16(9)11-4-3-10(8-15)12(14)7-11/h3-4,7,9,17H,5-6H2,1-2H3/t9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase r...				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366207 (CHEMBL1957612) Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50238124 (CHEMBL4060271) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C14H17ClN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in Freestyle293F cells measured after 3 ...				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50238126 (CHEMBL4068946) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H15ClN2O/c1-9-13(2,17)5-6-16(9)11-4-3-10(8-15)12(14)7-11/h3-4,7,9,17H,5-6H2,1-2H3/t9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in Freestyle293F cells measured after 3 ...				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238125 (CHEMBL4090028) Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C13H15ClN2O/c1-8-11(4-3-10(7-15)13(8)14)16-6-5-12(17)9(16)2/h3-4,9,12,17H,5-6H2,1-2H3/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238125 (CHEMBL4090028) Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C13H15ClN2O/c1-8-11(4-3-10(7-15)13(8)14)16-6-5-12(17)9(16)2/h3-4,9,12,17H,5-6H2,1-2H3/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238127 (CHEMBL4092535) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50238127 (CHEMBL4092535) Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |r| Show InChI InChI=1S/C14H17FN2O/c1-9-12(5-4-11(8-16)13(9)15)17-7-6-14(3,18)10(17)2/h4-5,10,18H,6-7H2,1-3H3/t10-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of rat liver pyruvate kinase (PK-L) at 10.7 mM				Bioorg Med Chem Lett 27: 1897-1901 (2017) Article DOI: 10.1016/j.bmcl.2017.03.038 BindingDB Entry DOI: 10.7270/Q2G16335
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50242312 (CHEMBL4063939) Show SMILES C[C@H]1[C@@H](O)C(F)(F)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C12H9ClF2N2O2/c1-6-10(18)12(14,15)11(19)17(6)8-3-2-7(5-16)9(13)4-8/h2-4,6,10,18H,1H3/t6-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242300 (CHEMBL4074501) Show SMILES C[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H13ClN2O2/c1-7-12(17)8(2)16(13(7)18)10-4-3-9(6-15)11(14)5-10/h3-5,7-8,12,17H,1-2H3/t7-,8-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366208 (CHEMBL1957613) Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242303 (CHEMBL4100995) Show SMILES CC[C@H]1[C@@H](O)[C@H](C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C14H15ClN2O2/c1-3-12-13(18)8(2)14(19)17(12)10-5-4-9(7-16)11(15)6-10/h4-6,8,12-13,18H,3H2,1-2H3/t8-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50242301 (CHEMBL4101232) Show SMILES CC[C@H]1[C@H](O)[C@H](C)N(C1=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C14H15ClN2O2/c1-3-11-13(18)8(2)17(14(11)19)10-5-4-9(7-16)12(15)6-10/h4-6,8,11,13,18H,3H2,1-2H3/t8-,11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242309 (CHEMBL4067691) Show SMILES CC[C@H]1[C@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H13ClN2O2/c1-2-11-12(17)6-13(18)16(11)9-4-3-8(7-15)10(14)5-9/h3-5,11-12,17H,2,6H2,1H3/t11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242297 (CHEMBL4088914) Show SMILES CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N2O2/c1-2-11-12(20)6-13(21)19(11)9-4-3-8(7-18)10(5-9)14(15,16)17/h3-5,11-12,20H,2,6H2,1H3/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50242308 (CHEMBL4072533) Show SMILES CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H13ClN2O2/c1-2-11-12(17)6-13(18)16(11)9-4-3-8(7-15)10(14)5-9/h3-5,11-12,17H,2,6H2,1H3/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394383 (N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-py...) Show SMILES CNCc1cc(-c2ccsc2)n(c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-7-8-21-12-14)18(11-13)22(19,20)15-5-3-2-4-6-15/h2-9,11-12,17H,10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242313 (CHEMBL4093265) Show SMILES CC(C)C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C15H17ClN2O2/c1-9(2)5-13-14(19)7-15(20)18(13)11-4-3-10(8-17)12(16)6-11/h3-4,6,9,13-14,19H,5,7H2,1-2H3/t13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242302 (CHEMBL4101935) Show SMILES C[C@H]1[C@@H](O)[C@H](Cc2ccccc2)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H17ClN2O2/c1-12-18(23)16(9-13-5-3-2-4-6-13)19(24)22(12)15-8-7-14(11-21)17(20)10-15/h2-8,10,12,16,18,23H,9H2,1H3/t12-,16-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242305 (CHEMBL4071751) Show SMILES C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C12H11ClN2O2/c1-7-11(16)5-12(17)15(7)9-3-2-8(6-14)10(13)4-9/h2-4,7,11,16H,5H2,1H3/t7-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428555 (CHEMBL2337509) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428553 (CHEMBL2337511) Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394395 (1-[5-(2,4-Difluorophenyl)-1-(pyridin-3-ylsulfonyl)...) Show SMILES CNCc1cc(-c2ccc(F)cc2F)n(c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C17H15F2N3O2S/c1-20-9-12-7-17(15-5-4-13(18)8-16(15)19)22(11-12)25(23,24)14-3-2-6-21-10-14/h2-8,10-11,20H,9H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394391 (1-{5-(2-Fluorophenyl)-1-[(2-fluorophenyl)sulfonyl]...) Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C18H16F2N2O2S/c1-21-11-13-10-17(14-6-2-3-7-15(14)19)22(12-13)25(23,24)18-9-5-4-8-16(18)20/h2-10,12,21H,11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242299 (CHEMBL4087902) Show SMILES CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C14H15ClN2O2/c1-3-10-12(18)6-13(19)17(10)11-5-4-9(7-16)14(15)8(11)2/h4-5,10,12,18H,3,6H2,1-2H3/t10-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242298 (CHEMBL4059588) Show SMILES CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(OC)c1 |r| Show InChI InChI=1S/C14H16N2O3/c1-3-11-12(17)7-14(18)16(11)10-5-4-9(8-15)13(6-10)19-2/h4-6,11-12,17H,3,7H2,1-2H3/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor was determined in calf cerebral cortex homogenates using [3H]prazosin as radioligand				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428548 (CHEMBL2337516) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242306 (CHEMBL4100278) Show SMILES C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C |r| Show InChI InChI=1S/C13H13ClN2O2/c1-7-10(4-3-9(6-15)13(7)14)16-8(2)11(17)5-12(16)18/h3-4,8,11,17H,5H2,1-2H3/t8-,11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394389 (Ethyl 1-(pyridazin-3-ylsulfonyl)-5-phenyl-1H-pyrro...) Show SMILES CCOC(=O)c1cc(-c2cccc(C)c2)n(c1)S(=O)(=O)c1cccnn1 Show InChI InChI=1S/C18H17N3O4S/c1-3-25-18(22)15-11-16(14-7-4-6-13(2)10-14)21(12-15)26(23,24)17-8-5-9-19-20-17/h4-12H,3H2,1-2H3	PDB 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	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428548 (CHEMBL2337516) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H21ClN4O2/c1-14-21(28,8-10-25(14)17-6-4-15(12-23)18(22)11-17)16-5-7-19(24-13-16)26-9-2-3-20(26)27/h4-7,11,13-14,28H,2-3,8-10H2,1H3/t14-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242314 (CHEMBL4083012) Show SMILES O[C@H]1CC(=O)N([C@H]1CC#N)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H10ClN3O2/c14-10-5-9(2-1-8(10)7-16)17-11(3-4-15)12(18)6-13(17)19/h1-2,5,11-12,18H,3,6H2/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242304 (CHEMBL4077666) Show SMILES C[C@H]1[C@@H](O)C(C)(C)C(=O)N1c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C14H15ClN2O2/c1-8-12(18)14(2,3)13(19)17(8)10-5-4-9(7-16)11(15)6-10/h4-6,8,12,18H,1-3H3/t8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242307 (CHEMBL4085514) Show SMILES C[C@@H]1N(C(=O)C[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C13H13ClN2O2/c1-8-13(2,18)6-12(17)16(8)10-4-3-9(7-15)11(14)5-10/h3-5,8,18H,6H2,1-2H3/t8-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human AR after 3 hrs				Bioorg Med Chem 25: 3330-3349 (2017) Article DOI: 10.1016/j.bmc.2017.04.018 BindingDB Entry DOI: 10.7270/Q2PV6NSW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366216 (CHEMBL1957621) Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-3-5-15(6-4-14)20(23)26)13(2)25(24-12)17-8-7-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428554 (CHEMBL2337510) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428555 (CHEMBL2337509) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C18H16ClFN2O/c1-12-18(23,14-3-5-15(20)6-4-14)8-9-22(12)16-7-2-13(11-21)17(19)10-16/h2-7,10,12,23H,8-9H2,1H3/t12-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394392 (1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-...) Show SMILES CNCc1cc(-c2ccccc2F)n(c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50428551 (CHEMBL2337513) Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366213 (CHEMBL1957618) Show SMILES Cc1nn(c(C)c1C(O)c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3O/c1-11-18(19(25)13-3-6-15(21)7-4-13)12(2)24(23-11)16-8-5-14(10-22)17(20)9-16/h3-9,19,25H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428554 (CHEMBL2337510) Show SMILES C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClN3O2/c1-12-19(25,15-5-2-13(3-6-15)18(22)24)8-9-23(12)16-7-4-14(11-21)17(20)10-16/h2-7,10,12,25H,8-9H2,1H3,(H2,22,24)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366217 (CHEMBL1957622) Show SMILES CNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1 Show InChI InChI=1S/C21H19ClN4O/c1-13-19(10-15-4-6-16(7-5-15)21(27)24-3)14(2)26(25-13)18-9-8-17(12-23)20(22)11-18/h4-9,11H,10H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428553 (CHEMBL2337511) Show SMILES CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-20(26,16-6-3-14(4-7-16)19(25)23-2)9-10-24(13)17-8-5-15(12-22)18(21)11-17/h3-8,11,13,26H,9-10H2,1-2H3,(H,23,25)/t13-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394388 (1-[1-(1-Benzothien-2-ylsulfonyl)-5-phenyl-1H-pyrro...) Show SMILES CNc1cc(-c2ccccc2)n(c1)S(=O)(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C19H16N2O2S2/c1-20-16-12-17(14-7-3-2-4-8-14)21(13-16)25(22,23)19-11-15-9-5-6-10-18(15)24-19/h2-13,20H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1 (Sus scrofa (Pig))	BDBM394394 (N-Methyl-1-[5-(2-methylphenyl)-1-(pyridin-3-ylsulf...) Show SMILES CNCc1cc(-c2ccccc2C)n(c1)S(=O)(=O)c1cccnc1 Show InChI InChI=1S/C18H19N3O2S/c1-14-6-3-4-8-17(14)18-10-15(11-19-2)13-21(18)24(22,23)16-7-5-9-20-12-16/h3-10,12-13,19H,11H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Washington University					Assay Description According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from...				J Med Chem 52: 2188-91 (2009) BindingDB Entry DOI: 10.7270/Q2FF3VPK
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428551 (CHEMBL2337513) Show SMILES CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,14-4-6-17(23-11-14)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair

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