Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50312831'   

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))	BDBM50312831 (3-(4-chlorophenyl)-N'-(4-fluoropiperidin-1-ylsulfo...) Show SMILES CNC(=NS(=O)(=O)N1CCC(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18| Show InChI InChI=1S/C22H25ClFN5O2S/c1-25-22(27-32(30,31)28-13-11-19(24)12-14-28)29-15-20(16-5-3-2-4-6-16)21(26-29)17-7-9-18(23)10-8-17/h2-10,19-20H,11-15H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1752-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.049 BindingDB Entry DOI: 10.7270/Q2736RWV
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