BDBM50191342 3alpha-hydroxy-5alpha-pregnan-20-one::CHEMBL207538

SMILES CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

InChI Key InChIKey=AURFZBICLPNKBZ-UHFFFAOYSA-N

Data  1 IC50  3 EC50

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50191342   

LigandPNGBDBM50191342(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Affinity DataEC50:  160nMAssay Description:Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
University of Manchester

Curated by ChEMBL
LigandPNGBDBM50191342(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Affinity DataIC50: 6.60E+4nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
LigandPNGBDBM50191342(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Affinity DataEC50:  237nMAssay Description:Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-med...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50191342(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Affinity DataEC50:  76nMAssay Description:Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)