Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50136116'   

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))	BDBM50136116 (7-[2-benzylamino(imino)methylaminoethyl]-22-cyclop...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(CCNC(=N)NCc4ccccc4)cc2c1C[C@@]35O |TLB:17:18:42:7.13.12,3:4:42:7.13.12| Show InChI InChI=1S/C36H39N5O3/c37-34(39-19-22-4-2-1-3-5-22)38-14-12-21-8-10-27-25(16-21)26-18-36(43)29-17-24-9-11-28(42)32-30(24)35(36,33(44-32)31(26)40-27)13-15-41(29)20-23-6-7-23/h1-5,8-11,16,23,29,33,40,42-43H,6-7,12-15,17-20H2,(H3,37,38,39)/t29?,33-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand				J Med Chem 46: 5505-11 (2003) Article DOI: 10.1021/jm0309203 BindingDB Entry DOI: 10.7270/Q2V69K9X
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