Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM209000'   

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))	BDBM209000 (US9233167, a-6-mPEG3-O-Codeine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(OC)c5OC1[C@]2(CCN3C)c45 |r,c:12,TLB:23:31:14:29.27.28,18:17:14:29.27.28| Show InChI InChI=1S/C25H35NO6/c1-26-9-8-25-18-5-7-21(31-15-14-30-13-12-29-11-10-27-2)24(25)32-23-20(28-3)6-4-17(22(23)25)16-19(18)26/h4-7,18-19,21,24H,8-16H2,1-3H3/t18?,19?,21-,24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.65E+4	-25.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Nektar Therapeutics US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
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