Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50130627'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50130627 ((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1| Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	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))	BDBM50130627 ((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1| Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/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	168	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 (Homo sapiens (Human))	BDBM50130627 ((6aR,10aR)-3-(1,3-dithiolan-2-yl)-6,6,9-trimethyl-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1SCCS1 |t:1| Show InChI InChI=1S/C19H24O2S2/c1-11-4-5-14-13(8-11)17-15(20)9-12(18-22-6-7-23-18)10-16(17)21-19(14,2)3/h4,9-10,13-14,18,20H,5-8H2,1-3H3/t13-,14-/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	170	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