Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50221417'   

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))	BDBM50221417 ((1S,2S,13R,21R)-7-iodo-22-methyl-14-oxa-11,22-diaz...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O Show InChI InChI=1S/C23H21IN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	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 cloned kappa opioid receptor				Bioorg Med Chem Lett 17: 5916-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.098 BindingDB Entry DOI: 10.7270/Q2RV0NFR
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