BDBM50133547 (6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL117033

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)C1CCCCC1

InChI Key: InChIKey=WZOWMTHJLNUSKG-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 = 50133547   

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))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) 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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/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	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system				Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) 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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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				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))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) 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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/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	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB1 receptor in cell free system				Eur J Med Chem 46: 547-55 (2011) Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) 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/C25H34O2S2/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/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/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	1.90	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				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair