Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50392309'   

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))	BDBM50392309 (CHEMBL2153770) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C(C)C)C(=O)NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29| Show InChI InChI=1S/C30H33ClN6O5S/c1-19(2)27(29(39)33-17-26(32)38)34-30(36-43(40,41)24-15-13-23(42-3)14-16-24)37-18-25(20-7-5-4-6-8-20)28(35-37)21-9-11-22(31)12-10-21/h4-16,19,25,27H,17-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,36)/t25?,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Displacement of 3[H]ligand from recombinant human CB1 receptor				Bioorg Med Chem Lett 22: 6173-80 (2012) Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2
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