BindingDB logo
myBDB logout

PubMed code 17098430

Compile data set for download or QSAR
Found 6 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))
BDBM50198443
PNG
(CHEMBL223494 | [(2R,3R,4S,5R,6S,8R,9R,13S,16S,18S)...)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
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 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50198446
PNG
(CHEMBL413306 | phenyllycaconitine)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(c3O)-c3ccccc3)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C43H54N2O10/c1-7-44-21-40(22-55-38(48)25-15-11-12-16-28(25)45-36(46)23(2)31(37(45)47)24-13-9-8-10-14-24)18-17-30(52-4)42-27-19-26-29(51-3)20-41(49,32(27)33(26)53-5)43(50,39(42)44)35(54-6)34(40)42/h8-16,26-27,29-30,32-35,39,46-47,49-50H,7,17-22H2,1-6H3/t26-,27-,29+,30+,32-,33+,34?,35+,39?,40+,41-,42?,43+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.67n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50198445
PNG
(2,2-dimethyllycaconitine | CHEMBL387363)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)(C)C3=O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C38H52N2O10/c1-8-39-18-35(19-50-31(42)20-11-9-10-12-23(20)40-26(41)17-34(2,3)33(40)43)14-13-25(47-5)37-22-15-21-24(46-4)16-36(44,27(22)28(21)48-6)38(45,32(37)39)30(49-7)29(35)37/h9-12,21-22,24-25,27-30,32,44-45H,8,13-19H2,1-7H3/t21-,22-,24+,25+,27-,28+,29?,30+,32?,35+,36-,37?,38+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.78n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50198442
PNG
((R)-methyllycaconitine | CHEMBL387362)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
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 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.12n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50198444
PNG
(2,3-dimethyllycaconitine | CHEMBL442048)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C38H52N2O10/c1-8-39-17-35(18-50-33(43)21-11-9-10-12-24(21)40-31(41)19(2)20(3)32(40)42)14-13-26(47-5)37-23-15-22-25(46-4)16-36(44,27(23)28(22)48-6)38(45,34(37)39)30(49-7)29(35)37/h9-12,22-23,25-30,34,41-42,44-45H,8,13-18H2,1-7H3/t22-,23-,25+,26+,27-,28+,29?,30+,34?,35+,36-,37?,38+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.46n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50198441
PNG
(CHEMBL267682 | cyclohexyllycaconitine)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C4CCCCC4)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C43H60N2O10/c1-7-44-21-40(22-55-38(48)25-15-11-12-16-28(25)45-36(46)23(2)31(37(45)47)24-13-9-8-10-14-24)18-17-30(52-4)42-27-19-26-29(51-3)20-41(49,32(27)33(26)53-5)43(50,39(42)44)35(54-6)34(40)42/h11-12,15-16,24,26-27,29-30,32-35,39,46-47,49-50H,7-10,13-14,17-22H2,1-6H3/t26-,27-,29+,30+,32-,33+,34?,35+,39?,40+,41-,42?,43+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from alpha7 nAChR in rat cerebral cortex


Bioorg Med Chem 15: 678-85 (2006)


Article DOI: 10.1016/j.bmc.2006.10.061
BindingDB Entry DOI: 10.7270/Q20K287P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%