Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50122539'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122539 (4,13-dimethoxy-20-azapentacyclo[7.6.5.02,7.010,15....) Show SMILES COC1=CC[C@H]2[C@@H]3Cc4ccc(OC)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:6.22,16.24,5.25,17.23,c:26,t:2,TLB:18:17:22.5:15.8.7,9:8:21.17:22.5,20:21:22.5:15.8.7,THB:4:5:21.17:15.8.7,14:15:21.17:22.5,(9.96,-3.75,;11.28,-4.52,;11.28,-6.06,;12.63,-6.83,;12.63,-8.37,;11.28,-9.14,;11.51,-13,;9.96,-13,;8.63,-12.23,;7.3,-13,;5.96,-12.23,;5.96,-10.69,;4.62,-9.93,;3.29,-10.7,;7.3,-9.91,;8.63,-10.68,;9.96,-9.91,;14.14,-11.49,;15.42,-12.33,;15.03,-13.8,;13.49,-13.89,;12.94,-12.45,;9.96,-8.37,;9.96,-6.83,)| Show InChI InChI=1S/C21H25NO2/c1-23-14-6-5-13-10-20-16-8-7-15(24-2)12-18(16)21(17(13)11-14)19-4-3-9-22(19)20/h5-7,11-12,16,19-21H,3-4,8-10H2,1-2H3/t16-,19+,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
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