Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50080104'   

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))	BDBM50080104 (5,5-Bis-(4-bromo-phenyl)-3-heptyl-imidazolidine-2,...) Show SMILES CCCCCCCN1C(=O)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Compound was evaluated for affinity towards human Cannabinoid receptor 1 using [3H]- SR-141716A as radioligand				J Med Chem 45: 1748-56 (2002) BindingDB Entry DOI: 10.7270/Q2VM4D02
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50080104 (5,5-Bis-(4-bromo-phenyl)-3-heptyl-imidazolidine-2,...) Show SMILES CCCCCCCN1C(=O)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1 Show InChI InChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholiqu£ de Louvain Curated by ChEMBL					Assay Description Ability to displace [3H]-SR- 141716A binding to CB1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 9: 2233-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB17D5
					More data for this Ligand-Target Pair