Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'morimoto' and Initial = 'm'   

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))	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 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))	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))	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))	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))	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))	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))	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
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))	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))	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
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))	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))	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
Mineralocorticoid 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women				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
Glucocorticoid 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to GR (unknown origin)				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/subunit beta (Sus scrofa (Pig))	BDBM50048657 (CHEMBL155575 | Dimethyl-{2-[1-(4-methyl-pyridin-2-...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(C)ccn1 Show InChI InChI=1S/C18H20N4OS/c1-14-8-9-19-17(12-14)22-11-10-20-18(22)24(23)13-15-6-4-5-7-16(15)21(2)3/h4-12H,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048679 (CHEMBL350914 | {2-[1-(4-Methoxy-pyridin-2-yl)-1H-i...) Show SMILES COc1ccnc(c1)-n1ccnc1S(=O)Cc1ccccc1N(C)C Show InChI InChI=1S/C18H20N4O2S/c1-21(2)16-7-5-4-6-14(16)13-25(23)18-20-10-11-22(18)17-12-15(24-3)8-9-19-17/h4-12H,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048661 (CHEMBL346819 | {2-[1-(4-Methoxy-6-methyl-pyridin-2...) Show SMILES COc1cc(C)nc(c1)-n1ccnc1S(=O)Cc1ccccc1N(C)C Show InChI InChI=1S/C19H22N4O2S/c1-14-11-16(25-4)12-18(21-14)23-10-9-20-19(23)26(24)13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50241343 ((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...) Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048658 (CHEMBL345354 | Sodium; 2-[2-(2-dimethylamino-pheny...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1ncccc1[O-] Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-7-4-3-6-13(14)12-24(23)17-19-10-11-21(17)16-15(22)8-5-9-18-16/h3-11,22H,12H2,1-2H3/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048642 (CHEMBL347442 | Dimethyl-[2-(1-pyridin-2-yl-1H-imid...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1ccccn1 Show InChI InChI=1S/C17H18N4OS/c1-20(2)15-8-4-3-7-14(15)13-23(22)17-19-11-12-21(17)16-9-5-6-10-18-16/h3-12H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048646 (6-[2-(2-Dimethylamino-phenylmethanesulfinyl)-imida...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(N)cn1 Show InChI InChI=1S/C17H19N5OS/c1-21(2)15-6-4-3-5-13(15)12-24(23)17-19-9-10-22(17)16-8-7-14(18)11-20-16/h3-11H,12,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048671 (CHEMBL347598 | {2-[1-(3-Methoxy-pyridin-2-yl)-1H-i...) Show SMILES CNc1ccccc1CS(=O)c1nccn1-c1ncccc1OC Show InChI InChI=1S/C17H18N4O2S/c1-18-14-7-4-3-6-13(14)12-24(22)17-20-10-11-21(17)16-15(23-2)8-5-9-19-16/h3-11,18H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50242310 (CHEMBL4082265) 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+/m1/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	6.60E+3	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/subunit beta (Sus scrofa (Pig))	BDBM50048677 (CHEMBL157751 | Dimethyl-(2-{1-[4-(2,2,2-trifluoro-...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(OCC(F)(F)F)ccn1 Show InChI InChI=1S/C19H19F3N4O2S/c1-25(2)16-6-4-3-5-14(16)12-29(27)18-24-9-10-26(18)17-11-15(7-8-23-17)28-13-19(20,21)22/h3-11H,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048639 (CHEMBL351335 | Methyl-[2-(1-pyridin-2-yl-1H-imidaz...) Show SMILES CNc1ccccc1CS(=O)c1nccn1-c1ccccn1 Show InChI InChI=1S/C16H16N4OS/c1-17-14-7-3-2-6-13(14)12-22(21)16-19-10-11-20(16)15-8-4-5-9-18-15/h2-11,17H,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Progesterone 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to PR (unknown origin)				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/subunit beta (Sus scrofa (Pig))	BDBM50048663 (CHEMBL158181 | Dimethyl-{2-[1-(5-trifluoromethyl-p...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C18H17F3N4OS/c1-24(2)15-6-4-3-5-13(15)12-27(26)17-22-9-10-25(17)16-8-7-14(11-23-16)18(19,20)21/h3-11H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048643 (CHEMBL155435 | Ethyl-{2-[1-(3-methoxy-pyridin-2-yl...) Show SMILES CCNc1ccccc1CS(=O)c1nccn1-c1ncccc1OC Show InChI InChI=1S/C18H20N4O2S/c1-3-19-15-8-5-4-7-14(15)13-25(23)18-21-11-12-22(18)17-16(24-2)9-6-10-20-17/h4-12,19H,3,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048684 (CHEMBL348541 | Methyl-{2-[1-(3-methyl-pyridin-2-yl...) Show SMILES CNc1ccccc1CS(=O)c1nccn1-c1ncccc1C Show InChI InChI=1S/C17H18N4OS/c1-13-6-5-9-19-16(13)21-11-10-20-17(21)23(22)12-14-7-3-4-8-15(14)18-2/h3-11,18H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Progesterone 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to PR (unknown origin)				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
Mineralocorticoid 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to MR (unknown origin)				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
Glucocorticoid 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to GR (unknown origin)				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/subunit beta (Sus scrofa (Pig))	BDBM50048660 (CHEMBL155660 | Diethyl-[2-(1-pyridin-2-yl-1,4,5,6-...) Show SMILES CCN(CC)c1ccccc1CS(=O)c1nc2CCCc2n1-c1ccccn1 Show InChI InChI=1S/C22H26N4OS/c1-3-25(4-2)19-12-6-5-10-17(19)16-28(27)22-24-18-11-9-13-20(18)26(22)21-14-7-8-15-23-21/h5-8,10,12,14-15H,3-4,9,11,13,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048650 (CHEMBL154784 | {2-[1-(4,6-Dimethyl-pyridin-2-yl)-1...) Show SMILES CN(C)c1ccccc1CS(=O)c1nccn1-c1cc(C)cc(C)n1 Show InChI InChI=1S/C19H22N4OS/c1-14-11-15(2)21-18(12-14)23-10-9-20-19(23)25(24)13-16-7-5-6-8-17(16)22(3)4/h5-12H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50048668 (CHEMBL346917 | {2-[1-(4,5-Dimethoxy-pyridin-2-yl)-...) Show SMILES COc1cnc(cc1OC)-n1ccnc1S(=O)Cc1ccccc1N(C)C Show InChI InChI=1S/C19H22N4O3S/c1-22(2)15-8-6-5-7-14(15)13-27(24)19-20-9-10-23(19)18-11-16(25-3)17(26-4)12-21-18/h5-12H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles				J Med Chem 39: 596-604 (1996) Article DOI: 10.1021/jm950610n BindingDB Entry DOI: 10.7270/Q23777T8
					More data for this Ligand-Target Pair

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