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PubMed code 24098954

Compile data set for download or QSAR
Found 14 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 subunit alpha-7


(Homo sapiens (Human))
BDBM50441948
PNG
(CHEMBL2440299)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23ClN2O2/c1-3-13-25-23-21(22(27)17-5-9-19(24)10-6-17)14-18(15-26-23)16-7-11-20(12-8-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
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PubMed
n/an/an/an/a 140n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441952
PNG
(CHEMBL2440297)
Show SMILES CCOc1ccc(cc1)-c1cnc(N)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O2/c1-2-25-17-9-5-13(6-10-17)15-11-18(20(22)23-12-15)19(24)14-3-7-16(21)8-4-14/h3-12H,2H2,1H3,(H2,22,23)
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n/an/an/an/a 2.50E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441939
PNG
(CHEMBL2440321)
Show SMILES CCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H20F2N2O2/c1-3-25-22-18(21(27)15-7-10-19(23)20(24)12-15)11-16(13-26-22)14-5-8-17(9-6-14)28-4-2/h5-13H,3-4H2,1-2H3,(H,25,26)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441947
PNG
(CHEMBL2440307)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23FN2O2/c1-3-13-25-23-21(22(27)17-5-9-19(24)10-6-17)14-18(15-26-23)16-7-11-20(12-8-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
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n/an/an/an/a 130n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441949
PNG
(CHEMBL2440298)
Show SMILES CCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H21ClN2O2/c1-3-24-22-20(21(26)16-5-9-18(23)10-6-16)13-17(14-25-22)15-7-11-19(12-8-15)27-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)
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n/an/an/an/a 160n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441951
PNG
(CHEMBL2440120)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN2O2/c1-3-26-18-10-6-14(7-11-18)16-12-19(21(23-2)24-13-16)20(25)15-4-8-17(22)9-5-15/h4-13H,3H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441950
PNG
(CHEMBL2440296)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O2/c1-3-26-18-10-6-14(7-11-18)16-12-19(21(23-2)24-13-16)20(25)15-4-8-17(22)9-5-15/h4-13H,3H2,1-2H3,(H,23,24)
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n/an/an/an/a 380n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441941
PNG
(CHEMBL2440319)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c1-2-11-24-21-19(20(26)15-5-9-18(23)10-6-15)12-16(13-25-21)14-3-7-17(22)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
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n/an/an/an/a 220n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441943
PNG
(CHEMBL2440313)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccccc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H24N2O2/c1-3-14-24-23-21(22(26)18-8-6-5-7-9-18)15-19(16-25-23)17-10-12-20(13-11-17)27-4-2/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,25)
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n/an/an/an/a 210n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441944
PNG
(CHEMBL2440311)
Show SMILES CCCNc1ncc(cc1C(=O)c1cc(F)ccc1F)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H22F2N2O2/c1-3-11-26-23-20(22(28)19-13-17(24)7-10-21(19)25)12-16(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441945
PNG
(CHEMBL2440310)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H22F2N2O2/c1-3-11-26-23-19(22(28)16-7-10-20(24)21(25)13-16)12-17(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
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n/an/an/an/a 180n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441946
PNG
(CHEMBL2440308)
Show SMILES CCCNc1ncc(cc1C(=O)c1cccc(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23FN2O2/c1-3-12-25-23-21(22(27)17-6-5-7-19(24)13-17)14-18(15-26-23)16-8-10-20(11-9-16)28-4-2/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26)
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n/an/an/an/a 450n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441942
PNG
(CHEMBL2440317)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H23FN2O2/c1-2-16-29-27-25(26(31)20-8-12-22(28)13-9-20)17-21(18-30-27)19-10-14-24(15-11-19)32-23-6-4-3-5-7-23/h3-15,17-18H,2,16H2,1H3,(H,29,30)
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n/an/an/an/a 560n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441940
PNG
(CHEMBL2440320)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H18F2N2O2/c1-3-27-16-7-4-13(5-8-16)15-10-17(21(24-2)25-12-15)20(26)14-6-9-18(22)19(23)11-14/h4-12H,3H2,1-2H3,(H,24,25)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%