BDBM50454526 CHEMBL3138293

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#Cc1ccc(C=O)cc1

InChI Key: InChIKey=ABXCABAFMUGXHR-YAVATZFESA-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 = 50454526   

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)	BDBM50454526 (CHEMBL3138293) 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#Cc1ccc(C=O)cc1 Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of [35S]TBPS binding in rat brain cortical membranes in the presence of 5 uM GABA in two-component inhibition curve				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))	BDBM50454526 (CHEMBL3138293) 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#Cc1ccc(C=O)cc1 Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/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	31	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