Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50335938'   

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))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from rat CB1 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The Cleveland Clinic Foundation US Patent					Assay Description Cell membrane homogenates (25 μg protein) were incubated for 120 min at 37° C. with 0.5 nM [3H]CP 55940 (the reference standard [Rinaldi-Carmona...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	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))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting				Cell Chem Biol 56: 8224-56 (2013) Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Cleveland Clinic Foundation US Patent					Assay Description Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50335938 ((3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(pip...) Show SMILES CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Cleveland Clinic Foundation US Patent					Assay Description The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair