BDBM50133543 (6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(6aR,10aR)-6,6,9-trimethyl-3-(2-phenyl-1,3-dithiolan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL118028

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1

InChI Key: InChIKey=MZRAFUHMUIHTGW-WOJBJXKFSA-N

Data: 4 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 4 hits for monomerid = 50133543   

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 1 (Homo sapiens (Human))	BDBM50133543 ((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 1 using CP55,940 as radioligand in HEK293 EBNA cells				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50133543 ((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/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	17.3	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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133543 ((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.6	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 2 (Homo sapiens (Human))	BDBM50133543 ((6aR,10aR)-6,6,9-Trimethyl-3-(2-phenyl-[1,3]dithio...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)c1ccccc1 |t:1| Show InChI InChI=1S/C25H28O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h4-9,14-15,19-20,26H,10-13H2,1-3H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair