Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM21849'   

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))	BDBM21849 (1'-(4-tert-butylcyclohexyl)-5-fluoro-2-methyl-2,3-...) Show SMILES CN1Cc2cccc(F)c2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)| Show InChI InChI=1S/C24H35FN2O/c1-23(2,3)18-8-10-19(11-9-18)27-14-12-24(13-15-27)21-17(6-5-7-20(21)25)16-26(4)22(24)28/h5-7,18-19H,8-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
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