Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM143561'   

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))	BDBM143561 (US9682955, 62) Show SMILES COC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)23-4-2-3-19(15-23)17-33-29-26-16-22(9-14-27(26)34-18-35-29)28(20-5-10-24(31)11-6-20)21-7-12-25(32)13-8-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)	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	14	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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