Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM35877'   

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))	BDBM35877 (5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicac...) Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	30
AstraZeneca					Assay Description A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 d...				Bioorg Med Chem 15: 4077-84 (2007) Article DOI: 10.1016/j.bmc.2007.03.075 BindingDB Entry DOI: 10.7270/Q2028PW8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM35877 (5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicac...) Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Antagonist activity against human recombinant cannabinoid-1 receptor				Bioorg Med Chem Lett 19: 2990-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.037 BindingDB Entry DOI: 10.7270/Q2CN7543
					More data for this Ligand-Target Pair