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Compile Data Set for Download or QSAR

Found 417 hits of ec50 data for polymerid = 5101   
Target
(Institution)
LigandTarget
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-7 subunit


(Homo sapiens (human))
BDBM50416408
PNG
(CHEMBL1210516)
Show SMILES Fc1cccc(CCNC(=O)Cn2nc(cc(Cc3ccco3)c2=O)C2CCCCC2)c1
Show InChI InChI=1S/C25H28FN3O3/c26-21-9-4-6-18(14-21)11-12-27-24(30)17-29-25(31)20(15-22-10-5-13-32-22)16-23(28-29)19-7-2-1-3-8-19/h4-6,9-10,13-14,16,19H,1-3,7-8,11-12,15,17H2,(H,27,30)
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416397
PNG
(CHEMBL1210515)
Show SMILES O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3/c30-25(27-22-13-19-9-4-5-10-20(19)14-22)17-29-26(31)21(15-23-11-6-12-32-23)16-24(28-29)18-7-2-1-3-8-18/h4-6,9-12,16,18,22H,1-3,7-8,13-15,17H2,(H,27,30)
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416407
PNG
(CHEMBL1210517)
Show SMILES O=C(Cn1nc(cc(Cc2ccoc2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3/c30-25(27-23-13-20-8-4-5-9-21(20)14-23)16-29-26(31)22(12-18-10-11-32-17-18)15-24(28-29)19-6-2-1-3-7-19/h4-5,8-11,15,17,19,23H,1-3,6-7,12-14,16H2,(H,27,30)
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190786
PNG
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1
Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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n/an/an/an/a 4.20n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...


Taylor Research Group

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416405
PNG
(CHEMBL1210576)
Show SMILES O=C(Cc1nc(C2CCCCC2)c2ccccc2n1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C25H27N3O/c29-24(26-20-14-18-10-4-5-11-19(18)15-20)16-23-27-22-13-7-6-12-21(22)25(28-23)17-8-2-1-3-9-17/h4-7,10-13,17,20H,1-3,8-9,14-16H2,(H,26,29)
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n/an/an/an/a 6.31n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413331
PNG
(CHEMBL459900)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1
Show InChI InChI=1S/C21H24N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8-9,12-13,18-19H,2-4,10-11,14-15H2,1H3
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n/an/an/an/a 7.94n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416404
PNG
(CHEMBL1210577)
Show SMILES O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C25H27N3O2/c29-23(26-20-14-18-10-4-5-11-19(18)15-20)16-28-25(30)22-13-7-6-12-21(22)24(27-28)17-8-2-1-3-9-17/h4-7,10-13,17,20H,1-3,8-9,14-16H2,(H,26,29)
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n/an/an/an/a 7.94n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413332
PNG
(CHEMBL503427)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1
Show InChI InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3
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n/an/an/an/a 7.94n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413330
PNG
(CHEMBL459689)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1
Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3
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n/an/an/an/a 7.94n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50247983
PNG
(CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...)
Show SMILES CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-20-18(11-10-16-8-4-2-5-9-16)14-17(19(20)22)15-21-12-6-3-7-13-21/h2,4-5,8-9,17-18H,3,6-7,12-15H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416406
PNG
(CHEMBL1210518)
Show SMILES COc1ccc(Cc2cc(nn(CC(=O)NC3Cc4ccccc4C3)c2=O)C2CCCCC2)cn1
Show InChI InChI=1S/C28H32N4O3/c1-35-27-12-11-19(17-29-27)13-23-16-25(20-7-3-2-4-8-20)31-32(28(23)34)18-26(33)30-24-14-21-9-5-6-10-22(21)15-24/h5-6,9-12,16-17,20,24H,2-4,7-8,13-15,18H2,1H3,(H,30,33)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416403
PNG
(CHEMBL1210578)
Show SMILES FC1(F)CCC(CC1)c1nn(CC(=O)NC2Cc3ccccc3C2)c(=O)c2ccncc12
Show InChI InChI=1S/C24H24F2N4O2/c25-24(26)8-5-15(6-9-24)22-20-13-27-10-7-19(20)23(32)30(29-22)14-21(31)28-18-11-16-3-1-2-4-17(16)12-18/h1-4,7,10,13,15,18H,5-6,8-9,11-12,14H2,(H,28,31)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416402
PNG
(CHEMBL1210579)
Show SMILES O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NCCc1ccccc1
Show InChI InChI=1S/C24H27N3O2/c28-22(25-16-15-18-9-3-1-4-10-18)17-27-24(29)21-14-8-7-13-20(21)23(26-27)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,28)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382040
PNG
(CHEMBL2021936)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1
Show InChI InChI=1S/C25H29FN6O2/c26-22-5-2-1-4-21(22)23(33)28-19-8-6-18(7-9-19)24-29-30-25(34-24)27-12-3-13-32-17-16-31-14-10-20(32)11-15-31/h1-2,4-9,20H,3,10-17H2,(H,27,30)(H,28,33)
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n/an/an/an/a 15.8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382052
PNG
(CHEMBL2022731)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1
Show InChI InChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30)
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n/an/an/an/a 15.8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413329
PNG
(CHEMBL459904)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1C
Show InChI InChI=1S/C20H26N2O/c1-16-8-4-5-9-17(16)10-11-19-14-18(20(23)21(19)2)15-22-12-6-3-7-13-22/h4-5,8-9,18-19H,3,6-7,12-15H2,1-2H3
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n/an/an/an/a 15.8n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382045
PNG
(CHEMBL2022736)
Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1
Show InChI InChI=1S/C25H30FN5O3/c1-33-22-17-18(28-23(32)19-9-3-4-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-5-8-16-31-14-6-2-7-15-31/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,27,30)(H,28,32)
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413328
PNG
(CHEMBL503573)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccccc1Cl
Show InChI InChI=1S/C19H23ClN2O/c1-21-17(10-9-15-7-3-4-8-18(15)20)13-16(19(21)23)14-22-11-5-2-6-12-22/h3-4,7-8,16-17H,2,5-6,11-14H2,1H3
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n/an/an/an/a 25.1n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416398
PNG
(CHEMBL1210643)
Show SMILES O=C(Cc1nc(-c2ccc3OCOc3c2)c2ccccc2n1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C26H21N3O3/c30-25(27-19-11-16-5-1-2-6-17(16)12-19)14-24-28-21-8-4-3-7-20(21)26(29-24)18-9-10-22-23(13-18)32-15-31-22/h1-10,13,19H,11-12,14-15H2,(H,27,30)
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413323
PNG
(CHEMBL516818)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)c1cnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C20H24ClN3OS/c1-23-17(11-14(20(23)25)13-24-9-5-2-6-10-24)18-12-22-19(26-18)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,17H,2,5-6,9-11,13H2,1H3
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n/an/an/an/a 25.1n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416399
PNG
(CHEMBL1210642)
Show SMILES O=C(Cc1nc(C2CCCCC2)c2ccsc2n1)NC1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3OS/c27-21(24-18-12-16-8-4-5-9-17(16)13-18)14-20-25-22(15-6-2-1-3-7-15)19-10-11-28-23(19)26-20/h4-5,8-11,15,18H,1-3,6-7,12-14H2,(H,24,27)
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416400
PNG
(CHEMBL1210641)
Show SMILES Fc1ccc2c(c1)c(nn(CC(=O)NC1Cc3ccccc3C1)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19ClFN3O2/c26-18-7-5-15(6-8-18)24-22-13-19(27)9-10-21(22)25(32)30(29-24)14-23(31)28-20-11-16-3-1-2-4-17(16)12-20/h1-10,13,20H,11-12,14H2,(H,28,31)
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
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+/m0/s1
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n/an/an/an/a 28n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...


Taylor Research Group

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382043
PNG
(CHEMBL2022733)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1
Show InChI InChI=1S/C24H28FN5O2/c25-21-9-3-2-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-4-7-17-30-15-5-1-6-16-30/h2-3,8-13H,1,4-7,14-17H2,(H,26,29)(H,27,31)
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n/an/an/an/a 31.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50413324
PNG
(CHEMBL462449)
Show SMILES CN1C(CC(CN2CCCCC2)C1=O)c1ccc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C21H25ClN2OS/c1-23-18(13-15(21(23)25)14-24-11-5-2-6-12-24)20-10-9-19(26-20)16-7-3-4-8-17(16)22/h3-4,7-10,15,18H,2,5-6,11-14H2,1H3
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n/an/an/an/a 31.6n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50416401
PNG
(CHEMBL1210640)
Show SMILES FC1(F)CCC(CC1)c1nn(CC(=O)NCCOc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H25F2N3O3/c25-24(26)12-10-17(11-13-24)22-19-8-4-5-9-20(19)23(31)29(28-22)16-21(30)27-14-15-32-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,27,30)
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n/an/an/an/a 31.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382044
PNG
(CHEMBL2022734)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1
Show InChI InChI=1S/C24H29N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h1,3-4,9-14H,2,5-8,15-18H2,(H,25,28)(H,26,30)
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n/an/an/an/a 31.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM91595
PNG
(PHA568487)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
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n/an/an/an/a 35n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...


Taylor Research Group

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2
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
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n/an/an/an/a 39.8n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382046
PNG
(CHEMBL2022737)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1
Show InChI InChI=1S/C24H27ClFN5O2/c25-20-16-17(28-22(32)19-8-2-3-9-21(19)26)10-11-18(20)23-29-30-24(33-23)27-12-4-7-15-31-13-5-1-6-14-31/h2-3,8-11,16H,1,4-7,12-15H2,(H,27,30)(H,28,32)
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n/an/an/an/a 39.8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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n/an/an/an/a 40n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...


Taylor Research Group

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190788
PNG
(CHEMBL378471 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1
Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(9-13)5-8-20-15)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190785
PNG
(CHEMBL378349 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1
Show InChI InChI=1S/C16H18N2OS/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393248
PNG
(CHEMBL1258005)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50393252
PNG
(CHEMBL2151570)
Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382041
PNG
(CHEMBL2022730)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1
Show InChI InChI=1S/C24H28FN5O3/c25-21-7-2-1-6-20(21)22(31)27-19-10-8-18(9-11-19)23-28-29-24(33-23)26-12-3-4-13-30-14-5-16-32-17-15-30/h1-2,6-11H,3-5,12-17H2,(H,26,29)(H,27,31)
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n/an/an/an/a 50.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50381980
PNG
(CHEMBL2022495)
Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C24H28FN5O3/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)
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n/an/an/an/a 50.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382042
PNG
(CHEMBL2022732)
Show SMILES CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C23H28FN5O2/c1-3-29(4-2)16-8-7-15-25-23-28-27-22(31-23)17-11-13-18(14-12-17)26-21(30)19-9-5-6-10-20(19)24/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,25,28)(H,26,30)
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382039
PNG
(CHEMBL2022504)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1
Show InChI InChI=1S/C24H26FN5O2/c25-21-5-2-1-4-20(21)22(31)27-18-9-7-17(8-10-18)23-28-29-24(32-23)26-12-3-13-30-15-16-6-11-19(30)14-16/h1-2,4-5,7-10,16,19H,3,6,11-15H2,(H,26,29)(H,27,31)/t16-,19+/m1/s1
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50381967
PNG
(CHEMBL2022496)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C23H26FN5O2/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30)
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382047
PNG
(CHEMBL2022738)
Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1
Show InChI InChI=1S/C24H28FN5O4/c1-32-21-16-17(27-22(31)18-6-2-3-7-20(18)25)8-9-19(21)23-28-29-24(34-23)26-10-4-5-11-30-12-14-33-15-13-30/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,26,29)(H,27,31)
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50381967
PNG
(CHEMBL2022496)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C23H26FN5O2/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30)
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382049
PNG
(CHEMBL2022741)
Show SMILES FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1
Show InChI InChI=1S/C24H27F2N5O2/c25-18-11-15-31(16-12-18)14-4-3-13-27-24-30-29-23(33-24)17-7-9-19(10-8-17)28-22(32)20-5-1-2-6-21(20)26/h1-2,5-10,18H,3-4,11-16H2,(H,27,30)(H,28,32)
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n/an/an/an/a 79.4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50190783
PNG
(CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1
Show InChI InChI=1S/C16H18N2O2/c19-16(13-2-1-12-5-8-20-15(12)9-13)17-14-10-18-6-3-11(14)4-7-18/h1-2,5,8-9,11,14H,3-4,6-7,10H2,(H,17,19)/t14-/m0/s1
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n/an/an/an/a 86n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM91594
PNG
(Tropisetron)
Show SMILES CN1C2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13+/m0/s1
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n/an/an/an/a 92n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...


Taylor Research Group

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382054
PNG
(CHEMBL2022740)
Show SMILES Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1
Show InChI InChI=1S/C23H26FN5O3/c24-20-16-18(26-21(30)17-6-2-1-3-7-17)8-9-19(20)22-27-28-23(32-22)25-10-4-5-11-29-12-14-31-15-13-29/h1-3,6-9,16H,4-5,10-15H2,(H,25,28)(H,26,30)
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50381982
PNG
(CHEMBL2023927)
Show SMILES CCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
Show InChI InChI=1S/C25H30FN5O3/c1-2-33-22-17-18(28-23(32)19-9-4-5-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50382050
PNG
(CHEMBL2022729)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1
Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-4-12-29-13-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30)
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50381986
PNG
(CHEMBL2022939)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1)c1ccccc1
Show InChI InChI=1S/C23H27N5O2/c29-21(18-8-3-1-4-9-18)25-20-12-10-19(11-13-20)22-26-27-23(30-22)24-14-7-17-28-15-5-2-6-16-28/h1,3-4,8-13H,2,5-7,14-17H2,(H,24,27)(H,25,29)
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
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