Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM93454'   

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))	BDBM93454 (hCB1 Inhibitor, 2{5,1,7}) Show SMILES Cc1cccc(c1)-n1ncc(C(=O)NCC2CC2)c1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H25N3O/c1-19-6-5-9-24(16-19)30-26(25(18-29-30)27(31)28-17-20-10-11-20)23-14-12-22(13-15-23)21-7-3-2-4-8-21/h2-9,12-16,18,20H,10-11,17H2,1H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development					Assay Description Inhibition assay using hCB1.				ACS Comb Sci 14: 197-204 (2012) Article DOI: 10.1021/co200147y BindingDB Entry DOI: 10.7270/Q22J69G1
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