BDBM50130626 (6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::3-(2-Hexyl-[1,3]dithian-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL108392

SMILES: CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=SHDDOFYLDUCUGX-NHCUHLMSSA-N

Data: 5 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 5 hits for monomerid = 50130626   

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))	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/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	1.80	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 1 (Rattus norvegicus (rat))	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55,940				J Med Chem 46: 3221-9 (2003) Article DOI: 10.1021/jm020558c BindingDB Entry DOI: 10.7270/Q24M93XT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/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	1.80	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 2 (MOUSE)	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Hellenic Research Foundation Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55,940 as radioligand				J Med Chem 46: 3221-9 (2003) Article DOI: 10.1021/jm020558c BindingDB Entry DOI: 10.7270/Q24M93XT
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50130626 ((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...) Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/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	3.60	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