BDBM50164570 (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-11-one::Alfaxalone::CHEMBL190279

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

InChI Key InChIKey=DUHUCHOQIDJXAT-UHFFFAOYSA-N

Data  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50164570   

LigandPNGBDBM50164570(Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...)
Affinity DataEC50:  2.00E+3nMAssay Description:Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expresse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50164570(Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...)
Affinity DataEC50:  450nMAssay Description:Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2020
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50164570(Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...)
Affinity DataEC50:  2.20E+3nMAssay Description:Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chlori...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2020
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50164570(Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...)
Affinity DataEC50:  500nMAssay Description:Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2020
Entry Details Article
PubMed