Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50316522'   

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))	BDBM50316522 (2-Amino-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichloro...) Show SMILES CC1(C)C[C@@H](NC(=O)c2ccccc2N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C29H24Cl3N3O2/c1-29(2)15-25(34-27(36)20-5-3-4-6-24(20)33)22-14-21(16-7-9-17(30)10-8-16)26(35-28(22)37-29)19-12-11-18(31)13-23(19)32/h3-14,25H,15,33H2,1-2H3,(H,34,36)/t25-/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	1.30	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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