Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50123277'   

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))	BDBM50123277 (19-cyclopropylmethyl-6-phenyleaminomethyl-11-oxa-8...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(CNc2ccccc2)cc1C[C@@]35O Show InChI InChI=1S/C30H31N3O3/c34-23-9-8-20-13-24-30(35)14-21-12-19(15-31-22-4-2-1-3-5-22)16-32-26(21)28-29(30,25(20)27(23)36-28)10-11-33(24)17-18-6-7-18/h1-5,8-9,12,16,18,24,28,31,34-35H,6-7,10-11,13-15,17H2/t24-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Binding affinity for kappa opioid receptor was measured using [3H]U-69593				Bioorg Med Chem Lett 13: 529-32 (2003) BindingDB Entry DOI: 10.7270/Q27S7P9P
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