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.

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 4 hits for monomerid = 50164570   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Human)	BDBM50164570 (Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Human)	BDBM50164570 (Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Human)	BDBM50164570 (Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Human)	BDBM50164570 (Alfaxalone | (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acet...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair