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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha1 subunit'   
Target
(Institution)
LigandTarget
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
Nicotinic acetylcholine receptor alpha1 subunit


(Heliothis virescens)
BDBM50376053
PNG
(PROTOSTEMODIOL)
Show SMILES COC1=C(OC(=O)C1C)C(=O)[C@@H](C)[C@@H]1[C@@H]2CC[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N2CCC[C@@H]1O
Show InChI InChI=1S/C23H33NO7/c1-11-10-17(30-22(11)27)14-7-8-15-18(16(25)6-5-9-24(14)15)12(2)19(26)21-20(29-4)13(3)23(28)31-21/h11-18,25H,5-10H2,1-4H3/t11-,12-,13?,14-,15-,16-,17-,18+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha1 subunit


(Heliothis virescens)
BDBM50376055
PNG
(CHEMBL404139)
Show SMILES CCCC[C@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)C(O[C@]5(O3)[C@@H]1CCN24)C1OC(=O)C(CO)=C1OC
Show InChI InChI=1S/C22H31NO6/c1-4-5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)17(29-22)19-18(26-3)12(10-24)20(25)27-19/h11,13-17,19,24H,4-10H2,1-3H3/t11-,13-,14+,15-,16+,17?,19?,21?,22+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha1 subunit


(Heliothis virescens)
BDBM50376056
PNG
(STEMOFOLINE)
Show SMILES CCCC[C@]12[C@H]3C[C@H]4[C@H]5[C@H](C)\C(O[C@]5(O3)C1CCN24)=C1\OC(=O)C(C)=C1OC
Show InChI InChI=1S/C22H29NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h11,13-16H,5-10H2,1-4H3/b19-18-/t11-,13-,14?,15+,16+,21?,22+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique


Citation and Details
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha1 subunit


(Heliothis virescens)
BDBM50376054
PNG
(CHEMBL255667)
Show SMILES CCCC[C@]12[C@H]3C[C@H]4[C@H]5[C@H](C)C(O[C@]5(O3)[C@@H]1[C@H](O)CN24)C1OC(=O)C(C)=C1OC
Show InChI InChI=1S/C22H31NO6/c1-5-6-7-21-14-8-12-15-10(2)17(18-16(26-4)11(3)20(25)27-18)29-22(15,28-14)19(21)13(24)9-23(12)21/h10,12-15,17-19,24H,5-9H2,1-4H3/t10-,12-,13+,14+,15+,17?,18?,19+,21?,22-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 157n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique


Citation and Details
More data for this
Ligand-Target Pair