Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50018998'   

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))	BDBM50018998 (CHEMBL3287468) Show SMILES Oc1ccc2C[C@@]34CN(CC5(O)CC5)CC[C@@]3(Cc3nc5ccccc5cc3C4)c2c1 |r| Show InChI InChI=1S/C27H28N2O2/c30-21-6-5-19-13-25-14-20-11-18-3-1-2-4-23(18)28-24(20)15-27(25,22(19)12-21)9-10-29(16-25)17-26(31)7-8-26/h1-6,11-12,30-31H,7-10,13-17H2/t25-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	879	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)				Bioorg Med Chem Lett 24: 2851-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.098 BindingDB Entry DOI: 10.7270/Q2DB83FW
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