Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM143569'   

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))	BDBM143569 (US9682955, 53) Show SMILES OCCCCOc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-11-6-22(7-12-26)30(23-8-13-27(35)14-9-23)24-10-15-29-28(19-24)31(41-32(40-29)43-17-2-1-16-42)39-20-21-4-3-5-25(18-21)33(36,37)38/h3-15,18-19,30,42H,1-2,16-17,20H2,(H,39,40,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	27
Janssen Pharmaceutica NV US Patent					Assay Description The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...				US Patent US9682955 (2017) BindingDB Entry DOI: 10.7270/Q2707ZM3
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