BDBM81561 Magreth-12a

SMILES: CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1

InChI Key: InChIKey=HTEPJTSXQWHRIH-UHFFFAOYSA-N

Data: 2 KI

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 = 81561   

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))	BDBM81561 (Magreth-12a) Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1 Show InChI InChI=1S/C18H19BrO2/c1-3-4-15-11-14(6-8-17(15)20)16-10-13(9-12(2)19)5-7-18(16)21/h3,5-8,10-12,20-21H,1,4,9H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.26E+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))	BDBM81561 (Magreth-12a) Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1 Show InChI InChI=1S/C18H19BrO2/c1-3-4-15-11-14(6-8-17(15)20)16-10-13(9-12(2)19)5-7-18(16)21/h3,5-8,10-12,20-21H,1,4,9H2,2H3	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