Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50042659'   

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 (Homo sapiens (Human))	BDBM50042659 (CHEMBL3353870 | Example 190 in WO2010077836 | US10...) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r| Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1X7B
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50042659 (CHEMBL3353870 | Example 190 in WO2010077836 | US10...) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r| Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	438	n/a	n/a	n/a	n/a
Centrexion Therapeutics Corporation US Patent					Assay Description CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. A...				US Patent US10112934 (2018) BindingDB Entry DOI: 10.7270/Q2F191RP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50042659 (CHEMBL3353870 | Example 190 in WO2010077836 | US10...) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r| Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a
TBA					Assay Description CHO cells expressing human CB1 R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25Q508W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50042659 (CHEMBL3353870 | Example 190 in WO2010077836 | US10...) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r| Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50042659 (CHEMBL3353870 | Example 190 in WO2010077836 | US10...) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r| Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a
Centrexion Therapeutics Corporation US Patent					Assay Description CB1: CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37°...				US Patent US10570125 (2020) BindingDB Entry DOI: 10.7270/Q21C209H
					More data for this Ligand-Target Pair