Ki Summary

Reaction Details

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Target

Gamma-aminobutyric acid receptor subunit beta-1

Ligand

BDBM625875

Substrate/Competitor

n/a

Meas. Tech.

Steroid Inhibition of TBPS Binding

IC50

<100±n/a nM

Citation

Blanco-Pillado, MJ; SALITURO, FG; MORNINGSTAR, ML NEUROACTIVE STEROIDS AND THEIR METHODS OF USE US Patent US20230322846 Publication Date 10/12/2023

More Info.:

Get all data from this article, Assay Method

Gamma-aminobutyric acid receptor subunit beta-1

Name:

Gamma-aminobutyric acid receptor subunit beta-1

Synonyms:

GABA(A) receptor subunit beta-1

Type:

Protein

Mol. Mass.:

54082.33

Organism:

Rat

Description:

P15431

Residue:

474

Sequence:

MWTVQNRESLGLLSFPVMVAMVCCAHSSNEPSNMSYVKETVDRLLKGYDIRLRPDFGGPP
VDVGMRIDVASIDMVSEVNMDYTLTMYFQQSWKDKRLSYSGIPLNLTLDNRVADQLWVPD
TYFLNDKKSFVHGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIE
SYGYTTDDIEFYWNGGEGAVTGVNKIELPQFSIVDYKMVSKKVEFTTGAYPRLSLSFRLK
RNIGYFILQTYMPSTLITILSWVSFWINYDASAARVALGITTVLTMTTISTHLRETLPKI
PYVKAIDIYLMGCFVFVFLALLEYAFVNYIFFGKGPQKKGASKQDQSANEKNKLEMNKVQ
VDAHGNILLSTLEIRNETSGSEVLTGVSDPKATMYSYDSASIQYRKPLSSREGFGRGLDR
HGVPGKGRIRRRASQLKVKIPDLTDVNSIDKWSRMFFPITFSLFNVVYWLYYVH

BDBM625875

n/a

Name

BDBM625875

Synonyms:

Synthesis of 5-((S)-2-((3R,5R,8R,9R,10S,13R,14S,17R)-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)picolinonitrile (404) & 5-((R)-2-((3R,5R,8R,9R,10S,13R,14S,17R)-3-hydroxy-3-(methoxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl)picolinonitrile (405) | US20230322846, Example 404

Type

Small organic molecule

Emp. Form.

C29H42N2O2

Mol. Mass.

450.656

SMILES

COC[C@@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)Cc5ccc(nc5)C#N)[C@@]4(C)CC[C@H]23)C1 |r|

Structure