Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM239921'   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM239921 (US9403767, 99) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;5.4,-5.14,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;9.11,-9.27,;10.65,-9.32,;9.16,-7.73,;9.06,-10.81,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)| Show InChI InChI=1S/C29H31F3N2O/c1-33(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)34(3)26(35)22-11-10-16-25(21-22)29(30,31)32/h4-16,21H,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
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