Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50422793'   

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 (MOUSE)	BDBM50422793 (CHEMBL203903) Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(Cc3c2)C(=O)c2ccccc2C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C36H37N3O4/c1-24-20-39(25(2)19-37(24)21-26-9-4-3-5-10-26)34(27-11-8-12-31(40)18-27)28-15-16-29-22-38(23-30(29)17-28)35(41)32-13-6-7-14-33(32)36(42)43/h3-18,24-25,34,40H,19-23H2,1-2H3,(H,42,43)/t24-,25+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
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