Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50204308'   

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))	BDBM50204308 (CHEMBL3980626) Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	638	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method				Bioorg Med Chem Lett 26: 5689-5694 (2016) Article DOI: 10.1016/j.bmcl.2016.10.065 BindingDB Entry DOI: 10.7270/Q25H7J7R
					More data for this Ligand-Target Pair