Compile Data Set for Download or QSAR

Found 12 hits from School of Pharmacy and Pharmacology   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454430 (Nudicauline) Show SMILES [H][C@]12CC3C([C@H]1OC(C)=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)C2[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |TLB:16:23:21:49.47.48,3:22:16.18:28.24.27,THB:25:24:21:49.47.48,49:22:16.18:28.24.27,6:5:3.2:10.12.13,24:23:10.4.3:21.18| Show InChI InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34?,35-,36+,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454436 (Elatine) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@]11[C@@H](OC)[C@@]2([H])[C@]33C1N(CC)C[C@]2(COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O)CC[C@@H]3OC |r,TLB:18:25:22:51.50.49,3:24:18.19:30.29.26,THB:26:25:19.22:10.3.5,8:7:3.2:10.12.11,51:24:18.19:30.29.26,27:26:22:51.50.49| Show InChI InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50054814 (CHEMBL359227 | inuline) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |TLB:21:22:25:29.31.32,18:21:35.37:4.2.3,1:2:40:18.16.17,THB:35:41:40:18.16.17,22:21:35.37:4.2.3,2:41:29.28.22:40.37| Show InChI InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50054816 (CHEMBL343843 | condelphine) Show SMILES CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)C(CC23)C14 |TLB:10:12:28.29:2.4.3,12:13:16:22.24.25,1:2:30:10.8.9,THB:28:31:30:10.8.9,13:12:28.29:2.4.3,2:31:22.21.13:30.29| Show InChI InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16?,17+,18?,19+,20?,21+,22?,23+,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454431 (Karacoline | Karakoline) Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C[C@@]2([H])[C@]33C1N(CC)C[C@]2(C)CC[C@@H]3O |r,TLB:15:21:18:30.28.29,3:20:15.17:22.26.25,THB:30:20:15.17:22.26.25,8:7:3.2:9.11.12,22:21:9.5.3:18.17,23:22:18:30.28.29| Show InChI InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13-,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454433 (CHEMBL2112851 | N-Desacetyllappaconitine) Show SMILES [H][C@]12CC3[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1([H])CC2[C@]33C1N(CC)C[C@@]2(CC[C@@H]3OC)OC(=O)c1ccccc1N |TLB:9:15:19:25.21.24,15:20:18:28.26.27,3:19:15.17:25.21.24,17:18:20.21.24:28.26.27,31:25:19:15.17,22:21:18:28.26.27,29:28:18:20.21.24,THB:6:4:20:18.17,11:9:20:18.17,2:3:20:18.17,28:19:15.17:25.21.24,26:25:19:15.17,5:4:20:18.17,10:9:20:18.17,22:21:19:15.17,7:6:3.2:9.11.12| Show InChI InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21?,22?,23+,24?,25+,27-,28+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50369179 (LYCOCTONINE) Show SMILES CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,TLB:28:31:9.8.7:3.32.2,26:20:16:13.14,7:4:28.26:12,4:31:20.13.19:32,1:2:28.26:12,29:28:20.13.19:32,THB:24:23:16:13.14,21:20:16:13.14,5:4:28.26:12| Show InChI InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23-,24+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454437 (Delsoline) Show SMILES [H][C@]12CC3[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@@H](O)CC[C@@]2(COC)CN(CC)[C@@]13[H] |TLB:15:35:20:23.26.25,9:15:22:27.32.31,28:27:22:15.17,3:22:15.17:27.32.31,THB:26:27:22:15.17,23:22:15.17:27.32.31,18:17:22:27.32.31,7:6:3.2:9.11.12,33:32:22:15.17,33:32:20:23.26.25,6:4:35:20.17,24:23:20:35.32.31,11:9:35:20.17,2:3:35:20.17| Show InChI InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14?,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454434 (Delcorine) Show SMILES [H][C@]12CC3C([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](O)C2[C@]33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:16:21:19:32.30.31,3:20:16.17:26.22.25,THB:32:20:16.17:26.22.25,6:5:3.2:8.9.10,23:22:19:32.30.31,22:21:8.4.3:19.17| Show InChI InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15?,16+,17+,18?,19+,20?,21+,22?,23+,24-,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454435 (Lappaconitine) Show SMILES [H][C@]12CC3[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1([H])CC2[C@]33C1N(CC)C[C@@]2(CC[C@@H]3OC)OC(=O)c1ccccc1NC(C)=O |TLB:9:15:19:25.21.24,29:28:18:20.21.24,15:20:18:28.26.27,3:19:15.17:25.21.24,17:18:20.21.24:28.26.27,31:25:19:15.17,22:21:18:28.26.27,THB:6:4:20:18.17,11:9:20:18.17,2:3:20:18.17,28:19:15.17:25.21.24,26:25:19:15.17,5:4:20:18.17,10:9:20:18.17,7:6:3.2:9.11.12,22:21:19:15.17| Show InChI InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26?,27+,29-,30+,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50454432 (Deltaline) Show SMILES [H][C@]12C[C@]3(O)[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@@]2([H])[C@]33C1N(CC)C[C@]2(C)CC[C@@H]3OC |r,TLB:18:27:24:36.35.34,3:26:18.19:32.31.28,THB:28:27:19.24:10.3.5,8:7:3.2:10.12.11,36:26:18.19:32.31.28,29:28:24:36.35.34| Show InChI InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair