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Target
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Found
24
hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50016820
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597504
(CHEMBL5177606)
Show SMILES
[I-].C(C[N+]12CCC(CC1)CC2)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
33
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597507
(CHEMBL5176101)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCCC1
Show InChI
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UniChem
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PubMed
44
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
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UniChem
Article
PubMed
77
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597518
(CHEMBL5182114)
Show SMILES
C[N+]12CCC(CC1)C(C2)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
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KEGG
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UniChem
Article
PubMed
95
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597519
(CHEMBL5197631)
Show SMILES
[I-].C[N+]1(C)CCC[C@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
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UniChem
Article
PubMed
147
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597498
(CHEMBL5192210)
Show SMILES
[I-].CC[N+](C)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
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UniChem
Article
PubMed
158
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597520
(CHEMBL5200914)
Show SMILES
[I-].C[N+]1(C)CCC[C@@H]1COc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
159
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597515
(CHEMBL5181363)
Show SMILES
[I-].CC[N+]1(CC)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
176
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597497
(CHEMBL5170445)
Show SMILES
[I-].CC[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
259
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597508
(CHEMBL5193899)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCOCC1
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
285
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597517
(CHEMBL5171118)
Show SMILES
[I-].C[N+]1(C)CCC(CC1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
368
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM80642
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES
CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI
InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
433
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597521
(CHEMBL5184266)
Show SMILES
[I-].CC[N+](C)(CC)[C@@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
546
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597511
(CHEMBL5202770)
Show SMILES
[I-].C[N+]1(C)CCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
576
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597505
(CHEMBL5174508)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCC1
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
662
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597516
(CHEMBL5182514)
Show SMILES
[I-].C[N+]1(C)CCCC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
PDB
KEGG
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PC sid
UniChem
Article
PubMed
783
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597501
(CHEMBL5186396)
Show SMILES
[Br-].CC[N+](CC)(CCOc1ccc(\C=C\c2ccccc2)cc1)Cc1ccccc1
Show InChI
PDB
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UniChem
Article
PubMed
794
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597514
(CHEMBL5176544)
Show SMILES
[I-].CC[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
875
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597522
(CHEMBL5193143)
Show SMILES
[I-].CC[N+](C)(CC)[C@H]1C[C@H]1Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
PDB
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PC sid
UniChem
Article
PubMed
1.27E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50188952
(CHEMBL379830 | N,N,N-trimethyl-2-(4-styrylphenoxy)...)
Show SMILES
C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI
InChI=1S/C19H24NO/c1-20(2,3)15-16-21-19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/q+1/b10-9+
PDB
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UniChem
Similars
Article
PubMed
1.53E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597510
(CHEMBL5176690)
Show SMILES
[I-].C[N+]1(C)CC(C1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI
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UniChem
Article
PubMed
1.58E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597513
(CHEMBL5178473)
Show SMILES
[I-].C[N+]1(C)CC[C@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
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UniChem
Article
PubMed
2.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597512
(CHEMBL5201239)
Show SMILES
[I-].C[N+]1(C)CC[C@@H](C1)Oc1ccc(\C=C\c2ccccc2)cc1 |r|
Show InChI
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UniChem
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PubMed
2.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597499
(CHEMBL5195695)
Show SMILES
[I-].C[N+](C)(CCOc1ccc(\C=C\c2ccccc2)cc1)C1CCCCC1
Show InChI
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PubMed
3.49E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
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