Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50324631'   

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))	BDBM50324631 (6-(2,4-Dichloro-benzyl)-4-oxo-1-pentyl-1,4-dihydro...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16| Show InChI InChI=1S/C32H36Cl2N2O2/c1-2-3-4-9-36-19-27(31(38)35-32-16-21-10-22(17-32)12-23(11-21)18-32)30(37)26-14-20(5-8-29(26)36)13-24-6-7-25(33)15-28(24)34/h5-8,14-15,19,21-23H,2-4,9-13,16-18H2,1H3,(H,35,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 HEK cells				J Med Chem 53: 5915-28 (2010) Article DOI: 10.1021/jm100123x BindingDB Entry DOI: 10.7270/Q2PC33BG
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