Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM168147'   

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))	BDBM168147 (US10081602, Example 12 | US9688638, 12) Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33| Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Nektar Therapeutics US Patent					Assay Description Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration o...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168147 (US10081602, Example 12 | US9688638, 12) Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33| Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Nektar Therapeutics US Patent					Assay Description The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168147 (US10081602, Example 12 | US9688638, 12) Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33| Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US9688638 (2017) BindingDB Entry DOI: 10.7270/Q2VM49FN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168147 (US10081602, Example 12 | US9688638, 12) Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1 |r,TLB:30:29:26.40.25:35.34.33| Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...				US Patent US10081602 (2018) BindingDB Entry DOI: 10.7270/Q2N87CT7
					More data for this Ligand-Target Pair