Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50138896'   

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))	BDBM50138896 (CHEMBL157149 | N-[1-[(R)-3-(4-Chloro-phenyl)-4-phe...) Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1C[C@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:21| Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	293	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 CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells				J Med Chem 47: 627-43 (2004) Article DOI: 10.1021/jm031019q BindingDB Entry DOI: 10.7270/Q2610ZQT
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