Compile Data Set for Download or QSAR

Found 846 hits with Last Name = 'deng' and Initial = 'b'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM148977 (US10512644, Compound Morphine | US8962646, A) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208981 ((4R,4aR,7S,7aR,12bS)-3-methyl-2,3,4,4a,7,7a-hexahy...) Show SMILES CO[C@H]1C=CC2C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45 |r,c:3,TLB:13:21:5:19.17.18,9:8:5:19.17.18| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11?,12?,14-,17?,18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.44	-46.1	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105085 (17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...) Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank US Patent	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105085 (17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...) Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank US Patent	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425895 (US10512644, Compound alpha-6-mPEG1-O-Morphine) Show SMILES COCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:6,TLB:16:24:8:22.20.21,12:11:8:22.20.21| Show InChI InChI=1S/C20H25NO4/c1-21-8-7-20-13-4-6-16(24-10-9-23-2)19(20)25-18-15(22)5-3-12(17(18)20)11-14(13)21/h3-6,13-14,16,19,22H,7-11H2,1-2H3/t13?,14?,16-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208982 (US9233167, a-6-mPEG1-O-Morphine) Show SMILES COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:17:25:8:23.21.22,13:12:8:23.21.22| Show InChI InChI=1S/C20H27NO5/c1-21-8-7-19-16-12-3-4-13(22)17(16)26-18(19)14(25-10-9-24-2)5-6-20(19,23)15(21)11-12/h3-4,14-15,18,22-23H,5-11H2,1-2H3/t14-,15?,18-,19-,20+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.7	-44.5	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425934 (US10512644, Compound 6-O-mPEG4-Nalbuphine) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:38.21.20:30.32.31,THB:18:17:38.21.20:30.32.31| Show InChI InChI=1S/C30H45NO8/c1-34-11-12-35-13-14-36-15-16-37-17-18-38-24-7-8-30(33)25-19-22-5-6-23(32)27-26(22)29(30,28(24)39-27)9-10-31(25)20-21-3-2-4-21/h5-6,21,24-25,28,32-33H,2-4,7-20H2,1H3/t24-,25+,28-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209007 (US9233167, 6-O-mPEG4-Nalbuphine) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:20.21.38:32.30.31,THB:18:17:20.21.38:32.30.31| Show InChI InChI=1S/C30H45NO8/c1-34-11-12-35-13-14-36-15-16-37-17-18-38-24-7-8-30(33)25-19-22-5-6-23(32)27-26(22)29(30,28(24)39-27)9-10-31(25)20-21-3-2-4-21/h5-6,21,24-25,28,32-33H,2-4,7-20H2,1H3/t24-,25+,28?,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208983 (US9233167, a-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:20:28:11:26.24.25,16:15:11:26.24.25| Show InChI InChI=1S/C22H31NO6/c1-23-8-7-21-18-14-3-4-15(24)19(18)29-20(21)16(28-12-11-27-10-9-26-2)5-6-22(21,25)17(23)13-14/h3-4,16-17,20,24-25H,5-13H2,1-2H3/t16-,17?,20-,21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.0	-43.7	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425896 (US10512644, Compound alpha-6-mPEG2-O-Morphine) Show SMILES COCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:9,TLB:19:27:11:25.23.24,15:14:11:25.23.24| Show InChI InChI=1S/C22H29NO5/c1-23-8-7-22-15-4-6-18(27-12-11-26-10-9-25-2)21(22)28-20-17(24)5-3-14(19(20)22)13-16(15)23/h3-6,15-16,18,21,24H,7-13H2,1-2H3/t15?,16?,18-,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425898 (US10512644, Compound alpha-6-mPEG4-O-Morphine) Show SMILES COCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:15,TLB:25:33:17:31.29.30,21:20:17:31.29.30| Show InChI InChI=1S/C26H37NO7/c1-27-8-7-26-19-4-6-22(33-16-15-32-14-13-31-12-11-30-10-9-29-2)25(26)34-24-21(28)5-3-18(23(24)26)17-20(19)27/h3-6,19-20,22,25,28H,7-17H2,1-2H3/t19?,20?,22-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208985 (US9233167, a-6-mPEG4-O-Morphine) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:26:34:17:32.30.31,22:21:17:32.30.31| Show InChI InChI=1S/C26H39NO8/c1-27-8-7-25-22-18-3-4-19(28)23(22)35-24(25)20(5-6-26(25,29)21(27)17-18)34-16-15-33-14-13-32-12-11-31-10-9-30-2/h3-4,20-21,24,28-29H,5-17H2,1-2H3/t20-,21?,24-,25-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23.1	-43.6	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
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105085 (17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...) Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank US Patent	25.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425933 (US10512644, Compound 6-O-mPEG3-Nalbuphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:13:14:35.18.17:27.29.28,THB:15:14:35.18.17:27.29.28| Show InChI InChI=1S/C28H41NO7/c1-32-11-12-33-13-14-34-15-16-35-22-7-8-28(31)23-17-20-5-6-21(30)25-24(20)27(28,26(22)36-25)9-10-29(23)18-19-3-2-4-19/h5-6,19,22-23,26,30-31H,2-4,7-18H2,1H3/t22-,23+,26-,27-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208977 (US9233167, 6-O-mPEG3-Nalbuphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:13:14:17.18.35:29.27.28,THB:15:14:17.18.35:29.27.28| Show InChI InChI=1S/C28H41NO7/c1-32-11-12-33-13-14-34-15-16-35-22-7-8-28(31)23-17-20-5-6-21(30)25-24(20)27(28,26(22)36-25)9-10-29(23)18-19-3-2-4-19/h5-6,19,22-23,26,30-31H,2-4,7-18H2,1H3/t22-,23+,26?,27-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105085 (17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...) Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank US Patent	29.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425935 (US10512644, Compound 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:41.24.23:33.35.34,THB:21:20:41.24.23:33.35.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30-,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425935 (US10512644, Compound 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:41.24.23:33.35.34,THB:21:20:41.24.23:33.35.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	35.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208986 (US9233167, a-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:29:37:20:35.33.34,25:24:20:35.33.34| Show InChI InChI=1S/C28H43NO9/c1-29-8-7-27-24-20-3-4-21(30)25(24)38-26(27)22(5-6-28(27,31)23(29)19-20)37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-2/h3-4,22-23,26,30-31H,5-19H2,1-2H3/t22-,23?,26-,27-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39.4	-42.3	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425899 (US10512644, Compound alpha-6-mPEG5-O-Morphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:18,TLB:28:36:20:34.32.33,24:23:20:34.32.33| Show InChI InChI=1S/C28H41NO8/c1-29-8-7-28-21-4-6-24(27(28)37-26-23(30)5-3-20(25(26)28)19-22(21)29)36-18-17-35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-6,21-22,24,27,30H,7-19H2,1-2H3/t21?,22?,24-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,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					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425936 (US10512644, Compound 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:44.27.26:36.38.37,THB:24:23:44.27.26:36.38.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32-,33-,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
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208984 (US9233167, a-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:23:31:14:29.27.28,19:18:14:29.27.28| Show InChI InChI=1S/C24H35NO7/c1-25-8-7-23-20-16-3-4-17(26)21(20)32-22(23)18(5-6-24(23,27)19(25)15-16)31-14-13-30-12-11-29-10-9-28-2/h3-4,18-19,22,26-27H,5-15H2,1-2H3/t18-,19?,22-,23-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50.7	-41.6	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425897 (US10512644, Compound alpha-6-mPEG3-O-Morphine) Show SMILES COCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:12,TLB:22:30:14:28.26.27,18:17:14:28.26.27| Show InChI InChI=1S/C24H33NO6/c1-25-8-7-24-17-4-6-20(30-14-13-29-12-11-28-10-9-27-2)23(24)31-22-19(26)5-3-16(21(22)24)15-18(17)25/h3-6,17-18,20,23,26H,7-15H2,1-2H3/t17?,18?,20-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208988 (US9233167, a-6-mPEG7-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:35:43:26:41.39.40,31:30:26:41.39.40| Show InChI InChI=1S/C32H51NO11/c1-33-8-7-31-28-24-3-4-25(34)29(28)44-30(31)26(5-6-32(31,35)27(33)23-24)43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-36-2/h3-4,26-27,30,34-35H,5-23H2,1-2H3/t26-,27?,30-,31-,32+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56.9	-41.4	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425901 (US10512644, Compound alpha-6-mPEG7-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:24,TLB:34:42:26:40.38.39,30:29:26:40.38.39| Show InChI InChI=1S/C32H49NO10/c1-33-8-7-32-25-4-6-28(31(32)43-30-27(34)5-3-24(29(30)32)23-26(25)33)42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-2/h3-6,25-26,28,31,34H,7-23H2,1-2H3/t25?,26?,28-,31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	56.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208987 (US9233167, a-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:32:40:23:38.36.37,28:27:23:38.36.37| Show InChI InChI=1S/C30H47NO10/c1-31-8-7-29-26-22-3-4-23(32)27(26)41-28(29)24(5-6-30(29,33)25(31)21-22)40-20-19-39-18-17-38-16-15-37-14-13-36-12-11-35-10-9-34-2/h3-4,24-25,28,32-33H,5-21H2,1-2H3/t24-,25?,28-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73.0	-40.7	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425937 (US10512644, Compound 6-O-mPEG7-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:47.30.29:39.41.40,THB:27:26:47.30.29:39.41.40| Show InChI InChI=1S/C36H57NO11/c1-40-11-12-41-13-14-42-15-16-43-17-18-44-19-20-45-21-22-46-23-24-47-30-7-8-36(39)31-25-28-5-6-29(38)33-32(28)35(36,34(30)48-33)9-10-37(31)26-27-3-2-4-27/h5-6,27,30-31,34,38-39H,2-4,7-26H2,1H3/t30-,31+,34-,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209010 (US9233167, 6-O-mPEG7-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:25:26:29.30.47:41.39.40,THB:27:26:29.30.47:41.39.40| Show InChI InChI=1S/C36H57NO11/c1-40-11-12-41-13-14-42-15-16-43-17-18-44-19-20-45-21-22-46-23-24-47-30-7-8-36(39)31-25-28-5-6-29(38)33-32(28)35(36,34(30)48-33)9-10-37(31)26-27-3-2-4-27/h5-6,27,30-31,34,38-39H,2-4,7-26H2,1H3/t30-,31+,34?,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425938 (US10512644, Compound 6-O-mPEG8-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:50.33.32:42.44.43,THB:30:29:50.33.32:42.44.43| Show InChI InChI=1S/C38H61NO12/c1-42-11-12-43-13-14-44-15-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50-32-7-8-38(41)33-27-30-5-6-31(40)35-34(30)37(38,36(32)51-35)9-10-39(33)28-29-3-2-4-29/h5-6,29,32-33,36,40-41H,2-4,7-28H2,1H3/t32-,33+,36-,37-,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	79.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM209009 (US9233167, 6-O-mPEG8-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:28:29:32.33.50:44.42.43,THB:30:29:32.33.50:44.42.43| Show InChI InChI=1S/C38H61NO12/c1-42-11-12-43-13-14-44-15-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50-32-7-8-38(41)33-27-30-5-6-31(40)35-34(30)37(38,36(32)51-35)9-10-39(33)28-29-3-2-4-29/h5-6,29,32-33,36,40-41H,2-4,7-28H2,1H3/t32-,33+,36?,37-,38+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	79.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425902 (US10512644, Compound alpha-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:30,TLB:40:48:32:46.44.45,36:35:32:46.44.45| Show InChI InChI=1S/C36H57NO12/c1-37-8-7-36-29-4-6-32(35(36)49-34-31(38)5-3-28(33(34)36)27-30(29)37)48-26-25-47-24-23-46-22-21-45-20-19-44-18-17-43-16-15-42-14-13-41-12-11-40-10-9-39-2/h3-6,29-30,32,35,38H,7-27H2,1-2H3/t29?,30?,32-,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208989 (US9233167, a-6-mPEG9-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:41:49:32:47.45.46,37:36:32:47.45.46| Show InChI InChI=1S/C36H59NO13/c1-37-8-7-35-32-28-3-4-29(38)33(32)50-34(35)30(5-6-36(35,39)31(37)27-28)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,30-31,34,38-39H,5-27H2,1-2H3/t30-,31?,34-,35-,36+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	111	-39.7	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
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM148977 (US10512644, Compound Morphine | US8962646, A) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1C3C=C[C@@H]4O)ccc5O |r,c:16,TLB:17:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM208981 ((4R,4aR,7S,7aR,12bS)-3-methyl-2,3,4,4a,7,7a-hexahy...) Show SMILES CO[C@H]1C=CC2C3Cc4ccc(O)c5OC1[C@]2(CCN3C)c45 |r,c:3,TLB:13:21:5:19.17.18,9:8:5:19.17.18| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11?,12?,14-,17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	118	-39.5	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425939 (US10512644, Compound 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:53.36.35:45.47.46,THB:33:32:53.36.35:45.47.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38-,39-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208978 (US9233167, 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:26.27.44:38.36.37,THB:24:23:26.27.44:38.36.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32?,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425936 (US10512644, Compound 6-O-mPEG6-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:22:23:44.27.26:36.38.37,THB:24:23:44.27.26:36.38.37| Show InChI InChI=1S/C34H53NO10/c1-38-11-12-39-13-14-40-15-16-41-17-18-42-19-20-43-21-22-44-28-7-8-34(37)29-23-26-5-6-27(36)31-30(26)33(34,32(28)45-31)9-10-35(29)24-25-3-2-4-25/h5-6,25,28-29,32,36-37H,2-4,7-24H2,1H3/t28-,29+,32-,33-,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425903 (US10512644, Compound Oxycodone) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4O)ccc5CO |r,THB:7:8:12:1.3.2,18:9:12:1.3.2| Show InChI InChI=1S/C18H23NO4/c1-19-7-6-17-14-10-2-3-11(9-20)15(14)23-16(17)12(21)4-5-18(17,22)13(19)8-10/h2-3,12-13,16,20-22H,4-9H2,1H3/t12-,13?,16-,17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. 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 US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50370595 (OXYCODONE | Oxycontin | US1184575, oxycodone | US9...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank US Patent	133	-39.2	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
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425935 (US10512644, Compound 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:41.24.23:33.35.34,THB:21:20:41.24.23:33.35.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM209008 (US9233167, 6-O-mPEG5-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:19:20:23.24.41:35.33.34,THB:21:20:23.24.41:35.33.34| Show InChI InChI=1S/C32H49NO9/c1-36-11-12-37-13-14-38-15-16-39-17-18-40-19-20-41-26-7-8-32(35)27-21-24-5-6-25(34)29-28(24)31(32,30(26)42-29)9-10-33(27)22-23-3-2-4-23/h5-6,23,26-27,30,34-35H,2-4,7-22H2,1H3/t26-,27+,30?,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM209007 (US9233167, 6-O-mPEG4-Nalbuphine) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:20.21.38:32.30.31,THB:18:17:20.21.38:32.30.31| Show InChI InChI=1S/C30H45NO8/c1-34-11-12-35-13-14-36-15-16-37-17-18-38-24-7-8-30(33)25-19-22-5-6-23(32)27-26(22)29(30,28(24)39-27)9-10-31(25)20-21-3-2-4-21/h5-6,21,24-25,28,32-33H,2-4,7-20H2,1H3/t24-,25+,28?,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425934 (US10512644, Compound 6-O-mPEG4-Nalbuphine) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:16:17:38.21.20:30.32.31,THB:18:17:38.21.20:30.32.31| Show InChI InChI=1S/C30H45NO8/c1-34-11-12-35-13-14-36-15-16-37-17-18-38-24-7-8-30(33)25-19-22-5-6-23(32)27-26(22)29(30,28(24)39-27)9-10-31(25)20-21-3-2-4-21/h5-6,21,24-25,28,32-33H,2-4,7-20H2,1H3/t24-,25+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM208979 (US9233167, 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:35.36.53:47.45.46,THB:33:32:35.36.53:47.45.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38?,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed us...				US Patent US9233167 (2016) BindingDB Entry DOI: 10.7270/Q25T3J97
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425939 (US10512644, Compound 6-O-mPEG9-Nalbuphine) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r,TLB:31:32:53.36.35:45.47.46,THB:33:32:53.36.35:45.47.46| Show InChI InChI=1S/C40H65NO13/c1-44-11-12-45-13-14-46-15-16-47-17-18-48-19-20-49-21-22-50-23-24-51-25-26-52-27-28-53-34-7-8-40(43)35-29-32-5-6-33(42)37-36(32)39(40,38(34)54-37)9-10-41(35)30-31-3-2-4-31/h5-6,31,34-35,38,42-43H,2-4,7-30H2,1H3/t34-,35+,38-,39-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells tha...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair

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