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PubMed code 24428686

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 protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448763
PNG
(CHEMBL3128030)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22|
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2/t12-,14-,16-/m1/s1
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PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448767
PNG
(CHEMBL3128029)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22|
Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2/t12-,14-,16-/m1/s1
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PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448766
PNG
(CHEMBL3128031)
Show SMILES Fc1ncc(cc1-c1ccncc1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19|
Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2/t12-,13-,15-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448765
PNG
(CHEMBL3128033)
Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:14:17.18:20|
Show InChI InChI=1S/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2/t11-,12-,14-/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50448764
PNG
(CHEMBL3128036)
Show SMILES Fc1ncc(cc1-c1cccnc1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19|
Show InChI InChI=1S/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2/t12-,13-,15-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 5.50E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as stimulation of acetylcholine-induced current by two-electro...


J Med Chem 57: 836-48 (2014)


Article DOI: 10.1021/jm401602p
BindingDB Entry DOI: 10.7270/Q2JW8GDR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%