Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50020206'   

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 (Rattus norvegicus (rat))	BDBM50020206 (CHEMBL266829 | CTOP) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C45H69N11O11S2/c1-24(57)34(37(49)60)54-44(67)36-45(3,4)69-68-23-33(53-38(61)29(48)21-26-11-6-5-7-12-26)42(65)52-32(22-27-15-17-28(59)18-16-27)41(64)51-31(14-10-20-47)39(62)50-30(13-8-9-19-46)40(63)55-35(25(2)58)43(66)56-36/h5-7,11-12,15-18,24-25,29-36,57-59H,8-10,13-14,19-23,46-48H2,1-4H3,(H2,49,60)(H,50,62)(H,51,64)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,66)/t24-,25-,29+,30+,31+,32+,33+,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
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