Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50172903'   

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))	BDBM50172903 (3,4-diarylpyrazoline derivative | CHEMBL364300) Show SMILES CCN(C)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:9.9,c:14| Show InChI InChI=1S/C20H24ClN5O2S/c1-4-25(3)29(27,28)24-20(22-2)26-14-18(15-8-6-5-7-9-15)19(23-26)16-10-12-17(21)13-11-16/h5-13,18H,4,14H2,1-3H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	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 specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1				Bioorg Med Chem Lett 15: 4794-8 (2005) Article DOI: 10.1016/j.bmcl.2005.07.054 BindingDB Entry DOI: 10.7270/Q2W959ZZ
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