Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50348137'   

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))	BDBM50348137 (CHEMBL1800727) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r| Show InChI InChI=1S/C39H64N4O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-36(45)41-32(2)30-48-37(46)28-21-19-24-29-40-35(44)26-23-22-25-34-38-33(31-49-34)42-39(47)43-38/h7-8,10-11,13-14,16-17,32-34,38H,3-6,9,12,15,18-31H2,1-2H3,(H,40,44)(H,41,45)(H2,42,43,47)/b8-7-,11-10-,14-13-,17-16-/t32-,33+,34+,38+/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting				J Med Chem 54: 5265-9 (2011) Article DOI: 10.1021/jm2004392 BindingDB Entry DOI: 10.7270/Q25D8S6J
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