Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50301321'   

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))	BDBM50301321 (4-methyl-3-(3-morpholino-3-oxopropyl)-N-((1S,4R)-1...) Show SMILES Cc1ccc(cc1CCC(=O)N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C25H36N2O3/c1-17-5-6-19(15-18(17)7-8-21(28)27-11-13-30-14-12-27)22(29)26-23-24(2,3)20-9-10-25(23,4)16-20/h5-6,15,20,23H,7-14,16H2,1-4H3,(H,26,29)/t20-,23?,25+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 5004-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.057 BindingDB Entry DOI: 10.7270/Q25M65S1
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