Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50204298'   

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))	BDBM50204298 (CHEMBL3889737) Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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
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