Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50140236'   

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))	BDBM50140236 (1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...) Show SMILES Clc1ccc(cc1)-n1nc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1 Show InChI InChI=1S/C22H20Cl3N5O/c23-15-4-7-17(8-5-15)30-21(18-9-6-16(24)10-19(18)25)26-20(27-30)22(31)28-29-11-13-2-1-3-14(13)12-29/h4-10,13-14H,1-3,11-12H2,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity towards human Cannabinoid receptor 1				Bioorg Med Chem Lett 14: 1151-4 (2004) Article DOI: 10.1016/j.bmcl.2003.12.068 BindingDB Entry DOI: 10.7270/Q2MW2GKB
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