Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50298934'   

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))	BDBM50298934 (CHEMBL574270 | N-[1-(1-Phenyl)ethyl]1-(3,4-dichlor...) Show SMILES CC(NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |(8.9,-29.05,;8.35,-30.49,;9.32,-31.69,;10.84,-31.44,;11.39,-30,;11.81,-32.64,;11.41,-34.12,;12.71,-34.96,;13.91,-33.99,;13.35,-32.55,;14.19,-31.26,;15.39,-34.39,;15.95,-35.82,;15.11,-37.12,;17.49,-35.75,;17.89,-34.25,;16.59,-33.42,;16.51,-31.88,;12.8,-36.5,;11.5,-37.34,;11.59,-38.88,;12.96,-39.58,;13.05,-41.12,;14.25,-38.74,;15.63,-39.43,;14.17,-37.2,;6.83,-30.74,;5.86,-29.54,;4.34,-29.78,;3.79,-31.22,;4.77,-32.42,;6.28,-32.17,)| Show InChI InChI=1S/C25H24Cl2N4O/c1-15-10-11-16(2)30(15)25-17(3)23(24(32)28-18(4)19-8-6-5-7-9-19)29-31(25)20-12-13-21(26)22(27)14-20/h5-14,18H,1-4H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	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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