Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50218792'   

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 (Homo sapiens (Human))	BDBM50218792 ((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 5175-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ
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