Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM192528'   

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))	BDBM192528 (US9187480, N-tert-butyl-1-[8-(2-chlorophenyl)-9-(4...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C33H32Cl2N6O/c1-32(2,3)39-31(42)33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute US Patent					Assay Description Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...				US Patent US9187480 (2015) BindingDB Entry DOI: 10.7270/Q28051DS
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