BindingDB PrimarySearch

BDBM50223368 3beta-hydroxyandrost-5-en-17-one::CHEMBL90593::DHEAS::Dehydroepiandrosterone (1)::Prasterone

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key: InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N

Data: 6 KI 4 IC50 1 Kd 2 EC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50223368
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	680	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
Glucose-6-phosphate 1-dehydrogenase (Trypanosoma brucei)	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei G6PDH using NADP as substrate by Lineweaver-Burk plot				Bioorg Med Chem 17: 2483-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.068 BindingDB Entry DOI: 10.7270/Q2WQ03NP
Universidade de São Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Trypanosoma brucei)	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot				Bioorg Med Chem 17: 2483-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.068 BindingDB Entry DOI: 10.7270/Q2WQ03NP
Universidade de São Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burk plot				Bioorg Med Chem 17: 2483-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.068 BindingDB Entry DOI: 10.7270/Q2WQ03NP
Universidade de São Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burk plot				Bioorg Med Chem 17: 2483-9 (2009) Article DOI: 10.1016/j.bmc.2009.01.068 BindingDB Entry DOI: 10.7270/Q2WQ03NP
Universidade de São Paulo Curated by ChEMBL					More data for this Ligand-Target Pair
Corticosteroid-binding globulin (Homo sapiens)	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.00E+4	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) BindingDB Entry DOI: 10.7270/Q2WM1H5Q
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Niemann-Pick C1-like protein 1 (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluoresce...				Bioorg Med Chem Lett 24: 3480-5 (2014) Article DOI: 10.1016/j.bmcl.2014.05.064 BindingDB Entry DOI: 10.7270/Q2HX1F8X
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.95E+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
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide				J Med Chem 55: 4431-45 (2012) Article DOI: 10.1021/jm300317k BindingDB Entry DOI: 10.7270/Q298883V
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...				J Med Chem 55: 4431-45 (2012) Article DOI: 10.1021/jm300317k BindingDB Entry DOI: 10.7270/Q298883V
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	14	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
Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.79E+4	n/a	n/a	n/a	n/a	7.0	37
University of Karachi					Assay Description β-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm,...				J Enzyme Inhib Med Chem 27: 348-55 (2012) Article DOI: 10.3109/14756366.2011.590804 BindingDB Entry DOI: 10.7270/Q2N29VV5
University of Karachi					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50223368 (3beta-hydroxyandrost-5-en-17-one \| CHEMBL90593 \| D...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a
Centre National de la Recherche Scientifique (CNRS) Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in CHO cells by luciferase assay				J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ
					More data for this Ligand-Target Pair