Compile Data Set for Download or QSAR

Found 2305 hits with Last Name = 'anand' and Initial = 'nk'   

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))	BDBM50027366 (Ketazocine | US10081602, Example Ketazocine | US10...) Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	5.60	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))	BDBM50027366 (Ketazocine | US10081602, Example Ketazocine | US10...) Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	1.30	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))	BDBM50027366 (Ketazocine | US10081602, Example Ketazocine | US10...) Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	1.30	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	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))	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))	BDBM475934 (Preparation of (2S,6R,11R)-8-((4-(2,5,8,11,14-pent...) Show SMILES COCCOCCCCCOCCOCCNc1ccc(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/C36H53N3O5/c1-27-34-35(40)32-14-13-31(25-33(32)36(27,2)15-17-39(34)26-28-7-8-28)38-30-11-9-29(10-12-30)37-16-20-44-24-23-43-19-6-4-5-18-42-22-21-41-3/h9-14,25,27-28,34,37-38H,4-8,15-24,26H2,1-3H3/t27-,34?,36+/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	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))	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
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	-42.0	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
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44.3	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
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	-41.3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM475934 (Preparation of (2S,6R,11R)-8-((4-(2,5,8,11,14-pent...) Show SMILES COCCOCCCCCOCCOCCNc1ccc(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/C36H53N3O5/c1-27-34-35(40)32-14-13-31(25-33(32)36(27,2)15-17-39(34)26-28-7-8-28)38-30-11-9-29(10-12-30)37-16-20-44-24-23-43-19-6-4-5-18-42-22-21-41-3/h9-14,25,27-28,34,37-38H,4-8,15-24,26H2,1-3H3/t27-,34?,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58.5	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))	BDBM168144 (US10865186, Compound 4 | US9688638, 4 | US9688638,...) Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	203	-38.2	879	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))	BDBM285849 ((2S,6R,11R)-3-(Cyclopropylmethyl)-8-{2-[2-(2-metho...) Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:31:30:18:22.23.24.25,16:15:18:22.23.24.25,13:14:18:22.23.24.25| Show InChI InChI=1S/C26H39NO5/c1-19-24-25(28)22-8-7-21(32-16-15-31-14-13-30-12-11-29-3)17-23(22)26(19,2)9-4-10-27(24)18-20-5-6-20/h7-8,17,19-20,24H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	203	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))	BDBM168144 (US10865186, Compound 4 | US9688638, 4 | US9688638,...) Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	203	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	-36.0	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	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))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	494	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))	BDBM166783 (US9688638, 1 | US9688638, 2 | US9688638, 3) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	549	-35.7	2.38E+3	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))	BDBM285847 ((2S,6R,11R)-3-(Cyclopropylmethyl)-6,11-dimethyl-8-...) Show SMILES COCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:37:36:24:28.29.30.31,22:21:24:28.29.30.31,19:20:24:28.29.30.31| Show InChI InChI=1S/C30H48N2O6/c1-23-28-29(33)26-8-7-25(21-27(26)30(23,2)9-4-11-32(28)22-24-5-6-24)31-10-12-35-15-16-37-19-20-38-18-17-36-14-13-34-3/h7-8,21,23-24,28,31H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	549	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))	BDBM475929 (Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...) Show SMILES COCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:31:30:24:35.20.21| Show InChI InChI=1S/C29H46N2O6/c1-22-27-28(32)25-7-6-24(20-26(25)29(22,2)8-10-31(27)21-23-4-5-23)30-9-11-34-14-15-36-18-19-37-17-16-35-13-12-33-3/h6-7,20,22-23,27,30H,4-5,8-19,21H2,1-3H3/t22-,27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	549	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))	BDBM166783 (US9688638, 1 | US9688638, 2 | US9688638, 3) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	619	-35.4	2.68E+3	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))	BDBM475928 (Preparation of (2S,6R,11R)-3-(cyclopropylmethyl)-8...) Show SMILES COCCOCCOCCN1CCN(CC1)c1ccc2C(=O)[C@@H]3[C@H](C)[C@@](C)(CCN3CC3CC3)c2c1 |r,THB:30:29:34.19.20:23| Show InChI InChI=1S/C29H45N3O4/c1-22-27-28(33)25-7-6-24(20-26(25)29(22,2)8-9-32(27)21-23-4-5-23)31-12-10-30(11-13-31)14-15-35-18-19-36-17-16-34-3/h6-7,20,22-23,27H,4-5,8-19,21H2,1-3H3/t22-,27-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	619	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))	BDBM285816 ((2S, 6R, 11R)-3-(Cyclopropylmethyl)-8-({2-[2-(2-me...) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:31:30:18:22.23.24.25,16:15:18:22.23.24.25,13:14:18:22.23.24.25| Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	619	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))	BDBM166783 (US9688638, 1 | US9688638, 2 | US9688638, 3) Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H38N2O4/c1-18-23-24(28)21-7-6-20(26-9-11-30-14-15-31-13-12-29-3)16-22(21)25(18,2)8-10-27(23)17-19-4-5-19/h6-7,16,18-19,23,26H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	769	-34.9	3.33E+3	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))	BDBM285848 ((2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,1...) Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:43:42:30:34.35.36.37,28:27:30:34.35.36.37,25:26:30:34.35.36.37| Show InChI InChI=1S/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	769	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))	BDBM475930 (Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...) Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:37:36:30:41.26.27| Show InChI InChI=1S/C33H54N2O8/c1-26-31-32(36)29-7-6-28(24-30(29)33(26,2)8-10-35(31)25-27-4-5-27)34-9-11-38-14-15-40-18-19-42-22-23-43-21-20-41-17-16-39-13-12-37-3/h6-7,24,26-27,31,34H,4-5,8-23,25H2,1-3H3/t26-,31-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	769	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))	BDBM168151 (US10081602, Example 25 | US9688638, 25) Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19| Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	955	-34.4	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))	BDBM168151 (US10081602, Example 25 | US9688638, 25) Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19| Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	955	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))	BDBM475939 (Preparation of (1R,2S,6R,11R)-1-(2,5,8,11,14-penta...) Show SMILES COCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:23:22:14.27.33:16| Show InChI InChI=1S/C27H43NO6/c1-20-25-26(34-17-16-33-15-14-32-13-12-31-11-10-30-3)23-7-6-22(29)18-24(23)27(20,2)8-9-28(25)19-21-4-5-21/h6-7,18,20-21,25-26,29H,4-5,8-17,19H2,1-3H3/t20-,25-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	955	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))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	-34.1	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))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	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))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06E+3	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))	BDBM168144 (US10865186, Compound 4 | US9688638, 4 | US9688638,...) Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+3	-33.4	6.08E+3	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))	BDBM475933 (Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:37:36:30:41.26.27| Show InChI InChI=1S/C33H53NO9/c1-26-31-32(35)29-7-6-28(24-30(29)33(26,2)8-9-34(31)25-27-4-5-27)43-23-22-42-21-20-41-19-18-40-17-16-39-15-14-38-13-12-37-11-10-36-3/h6-7,24,26-27,31H,4-5,8-23,25H2,1-3H3/t26-,31-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+3	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))	BDBM285851 ((2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,1...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:43:42:30:34.35.36.37,28:27:30:34.35.36.37,25:26:30:34.35.36.37| Show InChI InChI=1S/C34H55NO9/c1-27-32-33(36)30-8-7-29(25-31(30)34(27,2)9-4-10-35(32)26-28-5-6-28)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-3/h7-8,25,27-28,32H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168150 (US10081602, Example 24 | US10865186, Compound 24 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.81E+3	-32.8	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))	BDBM168144 (US10865186, Compound 4 | US9688638, 4 | US9688638,...) Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:25:24:18:29.14.15| Show InChI InChI=1S/C25H37NO5/c1-18-23-24(27)21-7-6-20(31-15-14-30-13-12-29-11-10-28-3)16-22(21)25(18,2)8-9-26(23)17-19-4-5-19/h6-7,16,18-19,23H,4-5,8-15,17H2,1-3H3/t18-,23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96E+3	-31.6	1.28E+4	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))	BDBM285850 ((2S,6R,11R)-3-(Cyclopropylmethyl)-6,11-dimethyl-8-...) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1 |r,THB:37:36:24:28.29.30.31,22:21:24:28.29.30.31,19:20:24:28.29.30.31| Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96E+3	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))	BDBM475932 (Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...) Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |r,TLB:31:30:24:35.20.21| Show InChI InChI=1S/C29H45NO7/c1-22-27-28(31)25-7-6-24(20-26(25)29(22,2)8-9-30(27)21-23-4-5-23)37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3/h6-7,20,22-23,27H,4-5,8-19,21H2,1-3H3/t22-,27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168151 (US10081602, Example 25 | US9688638, 25) Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19| Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.92E+3	-30.9	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM475939 (Preparation of (1R,2S,6R,11R)-1-(2,5,8,11,14-penta...) Show SMILES COCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:23:22:14.27.33:16| Show InChI InChI=1S/C27H43NO6/c1-20-25-26(34-17-16-33-15-14-32-13-12-31-11-10-30-3)23-7-6-22(29)18-24(23)27(20,2)8-9-28(25)19-21-4-5-21/h6-7,18,20-21,25-26,29H,4-5,8-17,19H2,1-3H3/t20-,25-,26+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168151 (US10081602, Example 25 | US9688638, 25) Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12 |r,THB:26:25:30.17.36:19| Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.92E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent									US Patent US10865186 (2020) BindingDB Entry DOI: 10.7270/Q2GM8BDQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM168149 (US10081602, Example 23 | US10865186, Compound 23 |...) Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O |r,THB:4:3:24.12.23:1| Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.96E+3	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

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