Compounds in cluster

53 similar compounds to monomer 8885

Wt: 330.4 BDBM8582 Purchase	Wt: 362.4 BDBM13775 Purchase	Wt: 360.4 BDBM19214 Purchase	Wt: 470.6 BDBM23195 Purchase	Wt: 302.4 BDBM26258
Wt: 327.4 BDBM48353 Purchase	Wt: 236.3 BDBM81417	Wt: 302.4 BDBM91716 Purchase	Wt: 304.4 BDBM91721	Wt: 426.3 BDBM50026617
Wt: 426.3 BDBM50026618	Wt: 328.4 BDBM50025398	Wt: 314.4 BDBM50025397	Wt: 288.4 BDBM50025452 Purchase	Wt: 304.4 BDBM50039142

Displayed 1 to 15 (of 53 total ) | Next | Last >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 8582,13775,19214,23195,26258,48353,81417,91716,91721,50026617,50026618,50025398,50025397,50025452,50039142
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of rat prostate cytosolic androgen receptor				Bioorg Med Chem Lett 14: 5285-8 (2004) Article DOI: 10.1016/j.bmcl.2004.08.031 BindingDB Entry DOI: 10.7270/Q29K4BZG
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone				J Med Chem 43: 3344-7 (2000) Article DOI: 10.1021/jm000163y BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand				Bioorg Med Chem Lett 11: 1045-7 (2001) Article DOI: 10.1016/s0960-894x(01)00146-9 BindingDB Entry DOI: 10.7270/Q2SF2WQ5
					More data for this Ligand-Target Pair
Androgen Receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSC-Scientific Computing Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate				J Med Chem 48: 917-25 (2005) Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD
CSC-Scientific Computing Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
Eli Lilly and Company Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Progesterone receptor (Oryctolagus cuniculus)	BDBM50026617 (17-Hydroxy-17-(2-iodo-vinyl)-13-methyl-1,2,6,7,8,9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-R5020 binding to rabbit uterine progesterone receptor				J Med Chem 28: 1695-9 (1985) Checked by Author Article DOI: 10.1021/jm00149a027 BindingDB Entry DOI: 10.7270/Q2ZC81W6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
Eli Lilly and Company Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Progesterone receptor (Oryctolagus cuniculus)	BDBM50026618 (17-Hydroxy-17-(2-iodo-vinyl)-13-methyl-1,2,6,7,8,9...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-R5020 binding to rabbit uterine progesterone receptor				J Med Chem 28: 1695-9 (1985) Checked by Author Article DOI: 10.1021/jm00149a027 BindingDB Entry DOI: 10.7270/Q2ZC81W6
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025452 ((testosterone)17-Hydroxy-10,13-dimethyl-1,2,6,7,8,...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd Curated by PDSP K_i Database									J Pharmacol Exp Ther 313: 916-20 (2005) Article DOI: 10.1124/jpet.104.074146 BindingDB Entry DOI: 10.7270/Q24T6GZR
Meiji Seika Kaisha, Ltd Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Corticosteroid-binding globulin (Homo sapiens)	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins)				J Med Chem 47: 2732-42 (2004) Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticosteroid-binding globulin (Homo sapiens)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins)				J Med Chem 47: 2732-42 (2004) Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
Eli Lilly and Company Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]DEX from human glucocorticoid receptor				J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	31.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
Eli Lilly and Company Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Corticosteroid-binding globulin (Homo sapiens)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins)				J Med Chem 47: 2732-42 (2004) Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50039142 (17-Hydroxy-10-hydroxymethyl-13-methyl-1,2,3,4,8,9,...) Show SMILES CC12CCC3C(C1CCC2O)C(=O)C=C1CCCCC31CO Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) Article DOI: 10.1021/jm00040a012 BindingDB Entry DOI: 10.7270/Q22F7MG3
Tohoku College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rudjer Boskovic Institute					Assay Description In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...				J Biol Chem 288: 33894-911 (2013) Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK
Rudjer Boskovic Institute					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 3A4				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM23195 ((2S,4aS,6aS,6bR,10S,12aS,12bR,14bR)-10-hydroxy-2,4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				Bioorg Med Chem Lett 16: 3273-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV
					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin				J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2
University of British Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin				J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2
University of British Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin				J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2
University of British Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc...				J Nat Prod 72: 1944-8 (2009) Article DOI: 10.1021/np9004882 BindingDB Entry DOI: 10.7270/Q2R49RQR
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.338	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity aft...				J Med Chem 53: 6947-53 (2010) Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2
Charles University in Prague Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.27	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...				J Med Chem 53: 6947-53 (2010) Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2
Charles University in Prague Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50025398 (2',15'-dimethylspiro[tetrahydrofuran-2,14'-tetracy...) Show SMILES Show InChI	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase from rat prostate				J Med Chem 29: 2298-315 (1986) Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Rattus norvegicus (Rat))	BDBM26258 ((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid scintillation counting method				Bioorg Med Chem 25: 1600-1607 (2017) Article DOI: 10.1016/j.bmc.2017.01.018 BindingDB Entry DOI: 10.7270/Q27D2XCS
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					More data for this Ligand-Target Pair
Rho GTPase-activating protein 35 (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	41.6	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR�, Invi...				US Patent US10188667 (2019) BindingDB Entry DOI: 10.7270/Q24Q7X38
Allergan Inc US Patent					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	0.470	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...				US Patent US10188667 (2019) BindingDB Entry DOI: 10.7270/Q24Q7X38
Allergan Inc US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...				US Patent US10188667 (2019) BindingDB Entry DOI: 10.7270/Q24Q7X38
Allergan Inc US Patent					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Binding affinity to MR (unknown origin)				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Binding affinity to MR (unknown origin)				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.305	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase t...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
Marquette University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adrenaline alpha2 (RAT)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells				J Biol Chem 273: 32776-86 (1998) Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT
Medical College of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Inc Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-La Roche Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025397 (15'-methylspiro[tetrahydrofuran-2,14'-tetracyclo[8...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 29: 2298-315 (1986) Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025398 (2',15'-dimethylspiro[tetrahydrofuran-2,14'-tetracy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 29: 2298-315 (1986) Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50025397 (15'-methylspiro[tetrahydrofuran-2,14'-tetracyclo[8...) Show SMILES Show InChI	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase from rat prostate				J Med Chem 29: 2298-315 (1986) Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
mineralocorticoid (RAT)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 6310-3 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.118 BindingDB Entry DOI: 10.7270/Q2JH3MKZ
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
mineralocorticoid (RAT)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting				Bioorg Med Chem Lett 21: 1744-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.073 BindingDB Entry DOI: 10.7270/Q2474B55
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM13775 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair

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