Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM168148'   

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))	BDBM168148 (US10081602, Example 20 | US10865186, Compound 20 |...) Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3| Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.86	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))	BDBM168148 (US10081602, Example 20 | US10865186, Compound 20 |...) Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3| Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.86	-48.8	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))	BDBM168148 (US10081602, Example 20 | US10865186, Compound 20 |...) Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3| Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM168148 (US10081602, Example 20 | US10865186, Compound 20 |...) Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3| Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/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	6.10	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))	BDBM168148 (US10081602, Example 20 | US10865186, Compound 20 |...) Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O |r,TLB:0:1:12.44.45:9.8.3| Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/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	6.10	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