Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50461713'   

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))	BDBM50461713 (CHEMBL4229050) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccncc2)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H25Cl2N7/c29-21-5-7-22(8-6-21)37-26(23-3-1-2-4-24(23)30)34-25-27(32-19-33-28(25)37)36-17-15-35(16-18-36)14-11-20-9-12-31-13-10-20/h1-10,12-13,19H,11,14-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes				J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP
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