Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50204310'   

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))	BDBM50204310 (CHEMBL3948140) Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	711	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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