Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50001715'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001715 (CHEMBL407685 | Norbinaltorphimine3,3'-diether) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6OCC(=C)C(=O)OC Show InChI InChI=1S/C50H55N3O10/c1-25(45(54)58-3)23-60-33-11-9-29-17-35-49(56)19-31-32-20-50(57)36-18-30-10-12-34(61-24-26(2)46(55)59-4)42-38(30)48(50,14-16-53(36)22-28-7-8-28)44(63-42)40(32)51-39(31)43-47(49,37(29)41(33)62-43)13-15-52(35)21-27-5-6-27/h9-12,27-28,35-36,43-44,51,56-57H,1-2,5-8,13-24H2,3-4H3/t35-,36-,43+,44+,47+,48+,49-,50-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
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