Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50260750'   

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))	BDBM50260750 ((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-((4...) Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CC2(O)CCOCC2)c1=O)C(N)=O |r| Show InChI InChI=1S/C20H28N4O5/c1-19(2,3)15(16(21)25)22-17(26)24-14-7-5-4-6-13(14)23(18(24)27)12-20(28)8-10-29-11-9-20/h4-7,15,28H,8-12H2,1-3H3,(H2,21,25)(H,22,26)/t15-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor				Bioorg Med Chem Lett 18: 3310-4 (2008) Article DOI: 10.1016/j.bmcl.2008.04.032 BindingDB Entry DOI: 10.7270/Q2VD70C3
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