BDBM50170653 (11beta)-11,21-dihydroxypregn-4-ene-3,20-dione::11beta,21-dihydroxypregn-4-ene-3,20-dione::11beta,21-dihydroxyprogesterone::17-deoxycortisol::CHEMBL110739::corticosterone
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
InChI Key: InChIKey=OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Corticosteroid-binding globulin (Homo sapiens) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Corticosteroid-binding globulin (Homo sapiens) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 63 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Dopamine uptake in OCT2-expressing HEK293 cells | J Biol Chem 273: 30915-20 (1998) BindingDB Entry DOI: 10.7270/Q2V40WGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Adrenaline uptake in OCT2-expressing HEK293 cells | J Biol Chem 273: 30915-20 (1998) BindingDB Entry DOI: 10.7270/Q2V40WGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Noradrenaline uptake in OCT2-expressing HEK293 cells | J Biol Chem 273: 30915-20 (1998) BindingDB Entry DOI: 10.7270/Q2V40WGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 605 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Serotonin uptake in OCT2-expressing HEK293 cells | J Biol Chem 273: 30915-20 (1998) BindingDB Entry DOI: 10.7270/Q2V40WGS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier organic anion transporter family member 1A1 (Rattus norvegicus) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells | Am J Physiol 270: 326-31 (1996) Article DOI: 10.1152/ajprenal.1996.270.2.F326 BindingDB Entry DOI: 10.7270/Q20K29V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 7.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | J Pharmacol Exp Ther 286: 354-61 (1998) BindingDB Entry DOI: 10.7270/Q28P63DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | Nature 372: 549-552 (1994) Article DOI: 10.1038/372549a0 BindingDB Entry DOI: 10.7270/Q2B56M05 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | Naunyn Schmiedebergs Arch Pharmacol 354: 320-6 (1997) Article DOI: 10.1007/bf00171063 BindingDB Entry DOI: 10.7270/Q2MG7QSP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Anti-estrogen binding site (AEBS) (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-8 sterol isomerase (Saccharomyces cerevisiae) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck Curated by ChEMBL | Assay Description Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.05E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.20E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Rattus norvegicus) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.90E+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 OCT3-expressing HRPE cells | J Biol Chem 273: 32776-86 (1998) Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents 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 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.34E+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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha1 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes | Drug Metab Dispos 33: 495-9 (2005) Article DOI: 10.1124/dmd.104.002519 BindingDB Entry DOI: 10.7270/Q24B32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenaline alpha2 (RAT) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition pramipexole uptake in rOCT2-injected oocytes | Drug Metab Dispos 33: 495-9 (2005) Article DOI: 10.1124/dmd.104.002519 BindingDB Entry DOI: 10.7270/Q24B32KW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Testis-specific androgen-binding protein (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 457 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM50170653 ((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells | Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656 | |||||||||||
More data for this Ligand-Target Pair |