BDBM50213595 5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol::5-(2-hexyl-[1,3]dithiolan-2-yl)-2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-benzene-1,3-diol::CHEMBL239208

SMILES: CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1

InChI Key: InChIKey=LVEVTMWLRZZDCH-BPGUCPLFSA-N

Data: 3 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 3 hits for monomerid = 50213595   

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))	BDBM50213595 (5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213595 (5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213595 (5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-...) Show SMILES CCCCCCC1(SCCS1)c1cc(O)c([C@@H]2C=C(C)CCC2C(C)=C)c(O)c1 |w:22.24,t:18| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)19-15-22(26)24(23(27)16-19)21-14-18(4)9-10-20(21)17(2)3/h14-16,20-21,26-27H,2,5-13H2,1,3-4H3/t20?,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4
					More data for this Ligand-Target Pair