Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133224'   

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 (Rattus norvegicus (rat))	BDBM50133224 (10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...) Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12| Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand				J Med Chem 46: 4182-7 (2003) Article DOI: 10.1021/jm030878b BindingDB Entry DOI: 10.7270/Q22V2GVM
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