Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50161579'   

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))	BDBM50161579 (4,5-Bis-(2,4-dichloro-phenyl)-oxazole-2-carboxylic...) Show SMILES Clc1ccc(-c2nc(oc2-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c(Cl)c1 Show InChI InChI=1S/C21H17Cl4N3O2/c22-12-4-6-14(16(24)10-12)18-19(15-7-5-13(23)11-17(15)25)30-21(26-18)20(29)27-28-8-2-1-3-9-28/h4-7,10-11H,1-3,8-9H2,(H,27,29)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells				Bioorg Med Chem Lett 15: 1441-6 (2005) Article DOI: 10.1016/j.bmcl.2004.12.078 BindingDB Entry DOI: 10.7270/Q2F18Z7R
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