Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50176425'   

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))	BDBM50176425 (CHEMBL265787 | N-(6-(4-chlorophenyl)-3-cyano-7-(2,...) Show SMILES CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at the CB1 receptor				Bioorg Med Chem Lett 16: 681-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.028 BindingDB Entry DOI: 10.7270/Q2PZ58CM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50176425 (CHEMBL265787 | N-(6-(4-chlorophenyl)-3-cyano-7-(2,...) Show SMILES CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35.5	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