Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213465'   

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))	BDBM50213465 ((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...) Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to rat CB1 receptor				Bioorg Med Chem Lett 17: 3978-82 (2007) Article DOI: 10.1016/j.bmcl.2007.04.087 BindingDB Entry DOI: 10.7270/Q2FN15XR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213465 ((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...) Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3978-82 (2007) Article DOI: 10.1016/j.bmcl.2007.04.087 BindingDB Entry DOI: 10.7270/Q2FN15XR
					More data for this Ligand-Target Pair