Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50427399'   

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))	BDBM50427399 (CHEMBL2326032) Show SMILES CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:28:23:30:26.27.29,28:27:24.23.22:30| Show InChI InChI=1S/C29H37ClN2O/c1-3-31(4-2)27-11-7-22(8-12-27)20-32(28(33)16-21-5-9-26(30)10-6-21)29-17-23-13-24(18-29)15-25(14-23)19-29/h5-12,23-25H,3-4,13-20H2,1-2H3/t23-,24+,25-,29-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
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