Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with all data for entry = 8870   

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))	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))	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))	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))	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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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
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))	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
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))	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))	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
Delta-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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	163	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	168	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))	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	186	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	218	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))	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	247	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	314	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))	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	319	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	346	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	404	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	439	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	445	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	558	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	576	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))	BDBM425905 (US10512644, Compound alpha-6-mPEG2-O-Hydroxycodone) Show SMILES COCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:21:29:11:27.25.26,16:15:11:27.25.26| Show InChI InChI=1S/C23H33NO6/c1-24-8-7-22-19-15-3-4-16(14-25)20(19)30-21(22)17(29-12-11-28-10-9-27-2)5-6-23(22,26)18(24)13-15/h3-4,17-18,21,25-26H,5-14H2,1-2H3/t17-,18?,21-,22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	632	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))	BDBM425904 (US10512644, Compound alpha-6-mPEG1-O-Hydroxycodone) Show SMILES COCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:18:26:8:24.22.23,13:12:8:24.22.23| Show InChI InChI=1S/C21H29NO5/c1-22-8-7-20-17-13-3-4-14(12-23)18(17)27-19(20)15(26-10-9-25-2)5-6-21(20,24)16(22)11-13/h3-4,15-16,19,23-24H,5-12H2,1-2H3/t15-,16?,19-,20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	654	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	670	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	774	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))	BDBM425906 (US10512644, Compound alpha-6-mPEG3-O-Hydroxycodone) Show SMILES COCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:24:32:14:30.28.29,19:18:14:30.28.29| Show InChI InChI=1S/C25H37NO7/c1-26-8-7-24-21-17-3-4-18(16-27)22(21)33-23(24)19(5-6-25(24,28)20(26)15-17)32-14-13-31-12-11-30-10-9-29-2/h3-4,19-20,23,27-28H,5-16H2,1-2H3/t19-,20?,23-,24-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	775	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))	BDBM425907 (US10512644, Compound alpha-6-mPEG4-O-Hydroxycodone) Show SMILES COCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:27:35:17:33.31.32,22:21:17:33.31.32| Show InChI InChI=1S/C27H41NO8/c1-28-8-7-26-23-19-3-4-20(18-29)24(23)36-25(26)21(5-6-27(26,30)22(28)17-19)35-16-15-34-14-13-33-12-11-32-10-9-31-2/h3-4,21-22,25,29-30H,5-18H2,1-2H3/t21-,22?,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	893	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+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, 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))	BDBM425914 (US10512644, Compound alpha-6-mPEG2-O-Codeine) Show SMILES COCCOCCO[C@H]1C=CC2[C@@H](Cc3ccc(OC)c4O[C@@H]1[C@]2(C)c34)N(C)C |r,c:9| Show InChI InChI=1S/C23H33NO5/c1-23-16-7-9-19(28-13-12-27-11-10-25-4)22(23)29-21-18(26-5)8-6-15(20(21)23)14-17(16)24(2)3/h6-9,16-17,19,22H,10-14H2,1-5H3/t16?,17-,19+,22+,23+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.38E+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, 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))	BDBM425910 (US10512644, Compound alpha-6-mPEG7-O-Hydroxycodone) Show SMILES COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:36:44:26:42.40.41,31:30:26:42.40.41| Show InChI InChI=1S/C33H53NO11/c1-34-8-7-32-29-25-3-4-26(24-35)30(29)45-31(32)27(5-6-33(32,36)28(34)23-25)44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-10-9-37-2/h3-4,27-28,31,35-36H,5-24H2,1-2H3/t27-,28?,31-,32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.61E+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, 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))	BDBM425913 (US10512644, Compound alpha-6-mPEG1-O-Codeine) Show SMILES COCCO[C@H]1C=CC2[C@@H](Cc3ccc(OC)c4O[C@@H]1[C@]2(C)c34)N(C)C |r,c:6| Show InChI InChI=1S/C21H29NO4/c1-21-14-7-9-17(25-11-10-23-4)20(21)26-19-16(24-5)8-6-13(18(19)21)12-15(14)22(2)3/h6-9,14-15,17,20H,10-12H2,1-5H3/t14?,15-,17+,20+,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.82E+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, 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))	BDBM425908 (US10512644, Compound alpha-6-mPEG5-O-Hydroxycodone) Show SMILES COCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:30:38:20:36.34.35,25:24:20:36.34.35| Show InChI InChI=1S/C29H45NO9/c1-30-8-7-28-25-21-3-4-22(20-31)26(25)39-27(28)23(5-6-29(28,32)24(30)19-21)38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-4,23-24,27,31-32H,5-20H2,1-2H3/t23-,24?,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	1.86E+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, 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))	BDBM425909 (US10512644, Compound alpha-6-mPEG6-O-Hydroxycodone) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)C3Cc4ccc(CO)c5O[C@@H]1[C@]2(CCN3C)c45 |r,TLB:33:41:23:39.37.38,28:27:23:39.37.38| Show InChI InChI=1S/C31H49NO10/c1-32-8-7-30-27-23-3-4-24(22-33)28(27)42-29(30)25(5-6-31(30,34)26(32)21-23)41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35-2/h3-4,25-26,29,33-34H,5-22H2,1-2H3/t25-,26?,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90E+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, 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

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