Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50185791'   

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))	BDBM50185791 (3-(1-(1,2-dihydroacenaphthylen-1-yl)-1,2,3,6-tetra...) Show SMILES N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9| Show InChI InChI=1S/C26H21N3/c27-15-17-7-8-24-22(13-17)23(16-28-24)18-9-11-29(12-10-18)25-14-20-5-1-3-19-4-2-6-21(25)26(19)20/h1-9,13,16,25,28H,10-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3524-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.094 BindingDB Entry DOI: 10.7270/Q2VT1RQJ
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