Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50420888'   

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))	BDBM50420888 (CHEMBL2087097) Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C31H38N2O/c1-2-3-7-12-33-21-27(28-16-26(10-11-29(28)33)25-8-5-4-6-9-25)17-30(34)32-31-18-22-13-23(19-31)15-24(14-22)20-31/h4-6,8-11,16,21-24H,2-3,7,12-15,17-20H2,1H3,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38E+3	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-55,940 from human recombinant CB1 receptor transfected in HEK cells				J Med Chem 55: 5391-402 (2012) Article DOI: 10.1021/jm3003334 BindingDB Entry DOI: 10.7270/Q2K64KCF
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