BDBM50191348 (3alpha,5beta)-3-hydroxyandrostan-17-one::3alpha-etiocholanolone::3alpha-hydroxy-5beta-androstan-17-one::5-isoandrosterone::5beta-androstan-3alpha-ol-17-one::5beta-androsterone::CHEMBL85799::Etiocholanolone

SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key: InChIKey=QGXBDMJGAMFCBF-BNSUEQOYSA-N

Data: 1 KI  4 IC50  1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50191348   

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)	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.89E+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
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	330	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 The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 1				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	182	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 The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 3				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair
Sex hormone-binding globulin (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	708	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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a
INSERM 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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Medical Center (CHUL) and 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) BindingDB Entry DOI: 10.7270/Q2GH9JGF
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50191348 ((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	330	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
					More data for this Ligand-Target Pair