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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 5127   
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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357061
PNG
(CHEMBL1917228)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1 |r|
Show InChI InChI=1S/C13H16BrNO2/c1-15-6-2-3-10(15)13-8-16-11-5-4-9(14)7-12(11)17-13/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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n/an/an/a 0.300n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50001942
PNG
(CHEMBL2113668 | Iodo-MLA)
Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc([125I])ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,19:18:10.3.5:51,18:21:25.26.24:47.51.48,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12|
Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i38-2
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n/an/an/a 2n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Dissociation constant for rat Nicotinic acetylcholine receptor alpha-7 at 45 pM


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50587080
PNG
(CHEMBL5081410)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|
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n/an/an/a 44n/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat alpha7 nAChRs assessed as dissociation constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02079
BindingDB Entry DOI: 10.7270/Q2R78K4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50500407
PNG
(CHEMBL3746799)
Show SMILES C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)|
Show InChI InChI=1S/C17H19N5/c1-2-15-14(3-6-18-15)9-13(1)16-10-22(20-19-16)17-11-21-7-4-12(17)5-8-21/h1-3,6,9-10,12,17-18H,4-5,7-8,11H2
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n/an/an/a 120n/an/an/an/an/a



Universite Orleans

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices


Eur J Med Chem 107: 153-64 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW
More data for this
Ligand-Target Pair