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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1'   
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
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86042
PNG
(NEP)
Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3|
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00310n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86041
PNG
(NFEP)
Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00380n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86040
PNG
(NBEP)
Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.00400n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86045
PNG
(NNEP)
Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0770n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM50063218
PNG
((R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Clc1ccc(cn1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86043
PNG
(NDMNEP)
Show SMILES CN(C)c1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:6:9:12.13:15|
Show InChI InChI=1S/C13H19N3/c1-16(2)13-6-3-9(8-14-13)11-7-10-4-5-12(11)15-10/h3,6,8,10-12,15H,4-5,7H2,1-2H3/t10?,11-,12?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM50119631
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ol | C...)
Show SMILES O=c1ccc(c[nH]1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H14N2O/c14-11-4-1-7(6-12-11)9-5-8-2-3-10(9)13-8/h1,4,6,8-10,13H,2-3,5H2,(H,12,14)/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1


(Xenopus)
BDBM86044
PNG
(NTEP)
Show SMILES FC(F)(F)S(=O)(=O)Oc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:11:14:17.18:20|
Show InChI InChI=1S/C12H13F3N2O3S/c13-12(14,15)21(18,19)20-11-4-1-7(6-16-11)9-5-8-2-3-10(9)17-8/h1,4,6,8-10,17H,2-3,5H2/t8?,9-,10?/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Miami

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 1246-52 (2002)


Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3
More data for this
Ligand-Target Pair