Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 25 entry = 50009445   

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))	BDBM50528961 (CHEMBL4435747) Show SMILES Ic1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccn2)cc1 Show InChI InChI=1S/C20H16IN5S/c21-16-9-7-15(8-10-16)14-27-20-25-24-19(18-6-2-4-12-23-18)26(20)13-17-5-1-3-11-22-17/h1-12H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM65817 (2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...) Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	870	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50518022 (CHEMBL4458783) Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1C(F)(F)F Show InChI InChI=1S/C21H17F3N4OS/c1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16/h2-11H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111701 BindingDB Entry DOI: 10.7270/Q2668HN9
					More data for this Ligand-Target Pair