BindingDB PrimarySearch

BDBM91713 Androst-4-en-3,17-dione, 2::Androst-4-ene-3,17-dione (3)::Androstenedione

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key: InChIKey=AEMFNILZOJDQLW-QAGGRKNESA-N

Data: 2 KI 14 IC50 1 Kd

PDB links: 27 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 91713
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
Corticosteroid-binding globulin (Homo sapiens)	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.74E+3	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
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.78E+3	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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human Steroid 5-alpha-reductase type 2 in transfected SW-13 cells using [3H]- delta4-Androstenedione as substrate				J Med Chem 38: 1456-61 (1995) Article DOI: 10.1021/jm00009a006 BindingDB Entry DOI: 10.7270/Q2W096K6
CHUL Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human tSteroid 5-alpha-reductase type I in transfected 293 cells using [3H]- delta4-Androstenedione as substrate.				J Med Chem 38: 1456-61 (1995) Article DOI: 10.1021/jm00009a006 BindingDB Entry DOI: 10.7270/Q2W096K6
CHUL Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec-Research Center (CHUL) Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs				Bioorg Med Chem 23: 5433-51 (2015) Article DOI: 10.1016/j.bmc.2015.07.049 BindingDB Entry DOI: 10.7270/Q20C4XHT
CHU de Qu£bec-Research Center (CHUL) Curated by ChEMBL					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Curated by ChEMBL					Assay Description Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells				Bioorg Med Chem Lett 10: 2533-6 (2001) Article DOI: 10.1016/s0960-894x(00)00517-5 BindingDB Entry DOI: 10.7270/Q2GH9JGF
Laval University Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	64	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
Alpha-synuclein (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assay				Eur J Med Chem 167: 10-36 (2019)
Universit£ degli Studi di Catania Curated by ChEMBL					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 1				J Med Chem 45: 640-53 (2002) Article DOI: 10.1021/jm010286y BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	489	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 3				J Med Chem 45: 640-53 (2002) Article DOI: 10.1021/jm010286y BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
CHUQ-Pavillon CHUL and Universit£ Laval Curated by ChEMBL					Assay Description Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4				J Med Chem 48: 5257-68 (2005) Article DOI: 10.1021/jm058179h BindingDB Entry DOI: 10.7270/Q21C1XNS
CHUQ-Pavillon CHUL and Universit£ Laval Curated by ChEMBL					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	35	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
Androgen receptor (Rattus norvegicus (Rat))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.29E+3	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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>6.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of HIV1 RT				J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG
University of Illinois Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-glucuronidase (EcGUS) (Escherichia coli (Enterobacteria))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+5	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
Cholinesterases (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
University of Jordan					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 \| Androst-4-ene-3,17-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 2				J Med Chem 45: 640-53 (2002) Article DOI: 10.1021/jm010286y BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair