Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50106350'   

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))	BDBM50106350 (CHEMBL3596369) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14| Show InChI InChI=1S/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20?,24-,25-,26+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human KOR expressed in CHO cells				Bioorg Med Chem Lett 25: 2927-30 (2015) Article DOI: 10.1016/j.bmcl.2015.05.038 BindingDB Entry DOI: 10.7270/Q28C9Z0W
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