Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50272464'   

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))	BDBM50272464 ((R)-4-Oxo-1-pentyl-N-(1-phenylethyl)-7-(pyrrolidin...) Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(cc12)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/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	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 51: 5075-84 (2008) Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B
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