Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50106344'   

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))	BDBM50106344 (CHEMBL3596365) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14| Show InChI InChI=1S/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	397	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
					More data for this Ligand-Target Pair