Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM21122'   

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))	BDBM21122 ((2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-[({[(2S...) Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)CCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1 Show InChI InChI=1S/C41H52N8O8/c1-3-37(53)49(30-12-8-5-9-13-30)31-20-22-48(23-21-31)38(54)19-18-35(51)46-47-41(57)34(25-28-10-6-4-7-11-28)45-36(52)26-43-39(55)27(2)44-40(56)33(42)24-29-14-16-32(50)17-15-29/h4-17,27,31,33-34,50H,3,18-26,42H2,1-2H3,(H,43,55)(H,44,56)(H,45,52)(H,46,51)(H,47,57)/t27-,33+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	-48.5	n/a	n/a	150	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P
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