BindingDB logo
myBDB logout

BDBM50080092 (17beta)-17-hydroxyestr-4-en-3-one::17beta-hydroxy-19-nor-4-androsten-3-one::17beta-hydroxy-4-estren-3-one::17beta-hydroxyestr-4-en-3-one::19-Norandrostenolone::19-Nortestosterone::4-estren-17beta-ol-3-one::CHEMBL757::Nandrolone

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=NPAGDVCDWIYMMC-IZPLOLCNSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50080092   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50080092
PNG
((17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydrox...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 501n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50080092
PNG
((17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydrox...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Metabolic& Cardiovascular Diesases Research, Novartis Institute for Biomedical Research, Summit, NJ 07901, USA.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pyruvate dehydrogenase kinase was determined


Bioorg Med Chem Lett 9: 2223-8 (1999)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(HUMAN)
BDBM50080092
PNG
((17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydrox...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.51E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)

More data for this
Ligand-Target Pair