BDBM81558 Magreth-11a

SMILES: COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O

InChI Key: InChIKey=ZZVCORQGJBSHDI-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 81558   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM81558 (Magreth-11a) Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern					Assay Description Binding assay with hCB1 and hCB2 receptors.				Chem Biol 18: 1053-64 (2011) Article DOI: 10.1016/j.chembiol.2011.05.012 BindingDB Entry DOI: 10.7270/Q27W69PQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM81558 (Magreth-11a) Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern					Assay Description Binding assay with hCB1 and hCB2 receptors.				Chem Biol 18: 1053-64 (2011) Article DOI: 10.1016/j.chembiol.2011.05.012 BindingDB Entry DOI: 10.7270/Q27W69PQ
					More data for this Ligand-Target Pair
GABA-A receptor; GABA-A site (alpha1/beta2 interface) (Homo sapiens (Human))	BDBM81558 (Magreth-11a) Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at holding pot...				J Med Chem 54: 5349-61 (2011) Article DOI: 10.1021/jm200186n BindingDB Entry DOI: 10.7270/Q2QR4XGP
					More data for this Ligand-Target Pair