Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50316524'   

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))	BDBM50316524 (CHEMBL1095158 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...) Show SMILES Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H23Cl3N4O2/c1-14-13-31-34-23(14)25(35)32-22-12-27(2,3)36-26-20(22)11-19(15-4-6-16(28)7-5-15)24(33-26)18-9-8-17(29)10-21(18)30/h4-11,13,22H,12H2,1-3H3,(H,31,34)(H,32,35)/t22-/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	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells				J Med Chem 53: 4028-37 (2010) Article DOI: 10.1021/jm100023j BindingDB Entry DOI: 10.7270/Q2TQ61QD
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