Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50298961'   

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))	BDBM50298961 (CHEMBL578003 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...) Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(Cl)cc2Cl)cc1Cl Show InChI InChI=1S/C24H21Cl3N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)19(27)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(25)14-18(20)26/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells				Bioorg Med Chem 17: 5549-64 (2009) Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD
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