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PubMed code 8941400

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50454430
PNG
(NUDICAULINE | Nudicauline)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)C14
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
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n/an/a 1.70n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454436
PNG
(ELATINE | Elatine)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@@]5([C@@H](OC)[C@H]23)C14
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
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n/an/a 6.10n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50366779
PNG
(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
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
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n/an/a 8n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50054816
PNG
(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
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
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n/an/a 1.60E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50054814
PNG
(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
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
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n/an/a 1.60E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454431
PNG
(KARAKOLINE | Karacoline | Karakoline)
Show SMILES CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@H](C[C@H]23)C14
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
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n/an/a 1.80E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454433
PNG
(CHEMBL2112851 | N-Desacetyllappaconitine)
Show SMILES CCN1C[C@@]2(CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@H](CC23)C14)OC(=O)c1ccccc1N
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
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n/an/a 6.80E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50369179
PNG
(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
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
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n/an/a 1.00E+4n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454437
PNG
(DELSOLINE | Delsoline)
Show SMILES CCN1C[C@]2(COC)CC[C@H](O)[C@@]34C5C[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
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
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n/an/a 1.90E+4n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454434
PNG
(DELCORINE | Delcorine)
Show SMILES CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@@H](O)C23)C14
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
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n/an/a 5.30E+4n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454435
PNG
(LAPPACONITINE | Lappaconitine)
Show SMILES CCN1C[C@@]2(CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@H](CC23)C14)OC(=O)c1ccccc1NC(C)=O
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
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n/an/a 9.60E+4n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50454432
PNG
(DELTALINE | Deltaline)
Show SMILES CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]22C[C@H](OC)[C@H]5C[C@]3(O)[C@@H]2[C@H]5OC)C14
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
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n/an/a 1.10E+5n/an/an/an/an/an/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
* indicates data uncertainty>20%