Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM239860'   

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))	BDBM239860 (US9403767, 9) Show SMILES CNC1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(4.59,-6.44,;3.05,-6.39,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)| Show InChI InChI=1S/C21H28N2/c1-22-20(18-10-6-4-7-11-18)14-16-21(17-15-20,23(2)3)19-12-8-5-9-13-19/h4-13,22H,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.17E+3	-33.9	n/a	n/a	n/a	n/a	n/a	n/a	25
GRUENENTHAL GMBH US Patent					Assay Description The determination occurred in a homogeneous batch in microtiter plates. For this, dilution series of the respective substances to be tested were incu...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
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