Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50170356'   

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 (Rattus norvegicus (rat))	BDBM50170356 (2-(2-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...) Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc12 Show InChI InChI=1S/C22H24ClNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay				Eur J Med Chem 44: 2482-96 (2009) Article DOI: 10.1016/j.ejmech.2009.01.026 BindingDB Entry DOI: 10.7270/Q2K64K9J
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50170356 (2-(2-Chloro-phenyl)-1-(2-methyl-1-pentyl-1H-indol-...) Show SMILES CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc12 Show InChI InChI=1S/C22H24ClNO/c1-3-4-9-14-24-16(2)22(18-11-6-8-13-20(18)24)21(25)15-17-10-5-7-12-19(17)23/h5-8,10-13H,3-4,9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity to displace [3H]CP-55,940 from CB1 receptor of rat brain				Bioorg Med Chem Lett 15: 4110-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.008 BindingDB Entry DOI: 10.7270/Q2KD1XGV
					More data for this Ligand-Target Pair