BDBM50055953 1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phenylethynyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-ethanone::CHEMBL3138017

SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccccc1O

InChI Key: InChIKey=YBAXKRDKUFOWOO-YYGHPHHLSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50055953   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
GABA receptor gamma-1 subunit (Rattus norvegicus)	BDBM50055953 (1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccccc1O Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of [35S]-TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical membranes in the presence of 5 uM GABA (low aff...				J Med Chem 40: 73-84 (1997) Article DOI: 10.1021/jm9605344 BindingDB Entry DOI: 10.7270/Q2CN731X
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50055953 (1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](O)(CC[C@]12C)C#Cc1ccccc1O Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor				J Med Chem 40: 73-84 (1997) Article DOI: 10.1021/jm9605344 BindingDB Entry DOI: 10.7270/Q2CN731X
					More data for this Ligand-Target Pair