Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50461707'   

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))	BDBM50461707 (CHEMBL4225446) Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(C#N)c1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C29H23Cl2N7/c30-21-10-12-22(13-11-21)38-27(23-8-4-5-9-24(23)31)35-26-28(33-19-34-29(26)38)37-16-14-36(15-17-37)25(18-32)20-6-2-1-3-7-20/h1-13,19,25H,14-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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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