Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50398752'   

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))	BDBM50398752 (CHEMBL2179659) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OC(=O)CCc1ccccc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C38H35ClN2O4/c39-29-12-9-25(10-13-29)28-18-27-20-38(45-32(43)15-8-23-4-2-1-3-5-23)31-19-26-11-14-30(42)35-33(26)37(38,36(44-35)34(27)40-21-28)16-17-41(31)22-24-6-7-24/h1-5,9-14,18,21,24,31,36,42H,6-8,15-17,19-20,22H2/t31-,36+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
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