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Compile Data Set for Download or QSAR

Found 1934 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A'   
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
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91603
PNG
(4' | alpha7 agonists 4')
Show SMILES CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12
Show InChI InChI=1S/C22H30N5O/c1-25-11-10-22(20-6-4-5-7-21(20)25)28-15-17-14-23-24-26(17)16-12-18-8-9-19(13-16)27(18,2)3/h4-7,10,14,16,18-19H,8-9,11-13,15H2,1-3H3/q+1
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Article
900 -35.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM125052
PNG
(US8772511, 21 | US9714242, 21)
Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1
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US Patent
1.60E+3n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM125049
PNG
(US8772511, 6 | US9714242, 6)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1
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US Patent
1.70E+3n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM125051
PNG
(US8772511, 16 | US9714242, 16)
Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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US Patent
2.10E+3n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
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Article
5.00E+3 -31.5n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM125050
PNG
(US8772511, 11 | US9714242, 11)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1
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US Patent
5.50E+3n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM264253
PNG
(N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-({[(3,4,5-t...)
Show SMILES COc1cc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc(OC)c1OC
Show InChI InChI=1S/C26H30N4O5S/c1-33-20-11-18(12-21(34-2)24(20)35-3)28-26(32)27-17-5-4-16-10-23(36-22(16)13-17)25(31)29-19-14-30-8-6-15(19)7-9-30/h4-5,10-13,15,19H,6-9,14H2,1-3H3,(H,29,31)(H2,27,28,32)/t19-/m0/s1
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US Patent
6.90E+3n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
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Article
8.00E+3 -30.3n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
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1.20E+4 -29.2n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM125048
PNG
(US8772511, 5 | US9714242, 5)
Show SMILES O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1
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1.20E+4n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with t...


US Patent US9714242 (2017)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91633
PNG
(18t | alpha7 agonists 18t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1
Show InChI InChI=1S/C22H30N4O/c1-25-18-10-11-19(25)13-20(12-18)26-14-17(23-24-26)15-27-22-9-5-4-8-21(22)16-6-2-3-7-16/h4-5,8-9,14,16,18-20H,2-3,6-7,10-13,15H2,1H3/t18-,19+,20-
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1.20E+4 -29.2n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91624
PNG
(alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
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1.50E+4 -28.6n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91604
PNG
(alpha7 agonists 5)
Show SMILES Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-4-3-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-7-13-26(2)11-5-6-12-26/h3-4,8-9,14-15H,5-7,10-13,16H2,1-2H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91605
PNG
(5' | alpha7 agonists 5')
Show SMILES Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-4-3-8-18(19)20(14-21(24)27)28-16-17-15-22-23-25(17)10-7-13-26(2)11-5-6-12-26/h3-4,8-9,14-15H,5-7,10-13,16H2,1-2H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91606
PNG
(alpha7 agonists 6)
Show SMILES C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1
Show InChI InChI=1S/C17H21N5O2/c1-22(2,3)9-8-21-11-13(19-20-21)12-24-16-10-17(23)18-15-7-5-4-6-14(15)16/h4-7,10-11H,8-9,12H2,1-3H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91607
PNG
(alpha7 agonists 7)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1
Show InChI InChI=1S/C19H24N5O/c1-24(2)17-6-7-18(24)10-16(9-17)23-12-15(21-22-23)13-25-19-5-3-4-14(8-19)11-20/h3-5,8,12,16-18H,6-7,9-10,13H2,1-2H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91608
PNG
(alpha7 agonists 8)
Show SMILES COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)10-16(9-17)23-11-15(21-22-23)13-27-19-7-4-14(12-25)8-20(19)26-3/h4,7-8,11-12,16-18H,5-6,9-10,13H2,1-3H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91609
PNG
(alpha7 agonists 9)
Show SMILES Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O
Show InChI InChI=1S/C19H26N5O3/c1-13-8-15(23(25)26)4-7-19(13)27-12-14-11-22(21-20-14)16-9-17-5-6-18(10-16)24(17,2)3/h4,7-8,11,16-18H,5-6,9-10,12H2,1-3H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91610
PNG
(10q | alpha7 agonists 10q)
Show SMILES CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
Show InChI InChI=1S/C14H23N5O/c1-10(20)15-8-11-9-18(17-16-11)12-6-13-4-5-14(7-12)19(13,2)3/h9,12-14H,4-8H2,1-3H3/p+1/t12-,13-,14+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
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Article
>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91612
PNG
(12q | alpha7 agonists 12q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1
Show InChI InChI=1S/C17H23N5O2/c1-22(2)14-5-6-15(22)9-13(8-14)21-11-12(19-20-21)10-18-17(23)16-4-3-7-24-16/h3-4,7,11,13-15H,5-6,8-10H2,1-2H3/p+1/t13-,14-,15+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91613
PNG
(13q | alpha7 agonists 13q)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1
Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)9-16(8-17)23-11-15(21-22-23)13-27-20-10-19(26-3)7-4-14(20)12-25/h4,7,10-12,16-18H,5-6,8-9,13H2,1-3H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91614
PNG
(14q | alpha7 agonists 14q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1
Show InChI InChI=1S/C21H26N5O2/c1-26(2)17-7-8-18(26)12-16(11-17)25-13-15(23-24-25)14-27-20-6-4-3-5-19(20)21-9-10-22-28-21/h3-6,9-10,13,16-18H,7-8,11-12,14H2,1-2H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91615
PNG
(15q | alpha7 agonists 15q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1
Show InChI InChI=1S/C19H24N5S2/c1-24(2)15-7-8-16(24)10-14(9-15)23-11-13(21-22-23)12-25-19-20-17-5-3-4-6-18(17)26-19/h3-6,11,14-16H,7-10,12H2,1-2H3/q+1/t14-,15-,16+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91616
PNG
(16q | alpha7 agonists 16q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C18H25N6O4S/c1-24(2)16-5-6-17(24)10-15(9-16)22-12-13(20-21-22)11-19-29(27,28)18-7-3-14(4-8-18)23(25)26/h3-4,7-8,12,15-17,19H,5-6,9-11H2,1-2H3/q+1/t15-,16-,17+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91601
PNG
(3' | alpha7 agonists 3')
Show SMILES O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c27-21-13-20(18-3-1-2-4-19(18)23-21)28-15-17-14-22-24-25(17)8-12-26-9-5-16(6-10-26)7-11-26/h1-4,13-14,16H,5-12,15H2/p+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91600
PNG
(alpha7 agonists 3)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O
Show InChI InChI=1S/C22H28N5O2/c1-25-20-5-3-2-4-19(20)21(14-22(25)28)29-16-18-15-26(24-23-18)9-13-27-10-6-17(7-11-27)8-12-27/h2-5,14-15,17H,6-13,16H2,1H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91598
PNG
(alpha7 agonists 2)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-5-4-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-13-26(2)11-6-3-7-12-26/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91707
PNG
(alpha7 agonists 1')
Show SMILES Cn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C14H14N4O2/c1-17-12-6-4-3-5-11(12)13(7-14(17)19)20-9-10-8-15-16-18(10)2/h3-8H,9H2,1-2H3
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91596
PNG
(alpha7 agonists 1)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O
Show InChI InChI=1S/C19H23N5O2/c1-22-17-7-3-2-6-16(17)18(12-19(22)25)26-14-15-13-24(21-20-15)11-10-23-8-4-5-9-23/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/q+1
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91629
PNG
(14t | alpha7 agonists 14t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1
Show InChI InChI=1S/C20H23N5O2/c1-24-15-6-7-16(24)11-17(10-15)25-12-14(22-23-25)13-26-19-5-3-2-4-18(19)20-8-9-21-27-20/h2-5,8-9,12,15-17H,6-7,10-11,13H2,1H3/t15-,16+,17-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91638
PNG
(23t | alpha7 agonists 23t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1
Show InChI InChI=1S/C26H30N6O/c1-30-21-12-13-22(30)15-23(14-21)31-17-20(28-29-31)16-27-26(33)32-24-8-4-2-6-18(24)10-11-19-7-3-5-9-25(19)32/h2-9,17,21-23H,10-16H2,1H3,(H,27,33)/t21-,22+,23-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91636
PNG
(21t | alpha7 agonists 21t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1
Show InChI InChI=1S/C19H28N6S/c1-13-9-14(2)21-19(20-13)26-8-4-5-15-12-25(23-22-15)18-10-16-6-7-17(11-18)24(16)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16-,17+,18-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91635
PNG
(20t | alpha7 agonists 20t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C23H24N4O/c1-26-15-10-11-16(26)13-17(12-15)27-14-22(24-25-27)23(28)20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,14-17,28H,10-13H2,1H3/t15-,16+,17-
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University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91634
PNG
(19t | alpha7 agonists 19t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-24-13-7-8-14(24)10-15(9-13)25-11-16(22-23-25)17(26,18(19,20)21)12-5-3-2-4-6-12/h2-6,11,13-15,26H,7-10H2,1H3/t13-,14+,15-,17?
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University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91632
PNG
(17t | alpha7 agonists 17t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4/c1-27-13-2-3-14(27)8-15(7-13)28-9-16(25-26-28)10-4-11(17(19,20)21)6-12(5-10)18(22,23)24/h4-6,9,13-15H,2-3,7-8H2,1H3/t13-,14+,15-
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University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91631
PNG
(16t | alpha7 agonists 16t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C17H22N6O4S/c1-21-14-2-3-15(21)9-16(8-14)22-11-12(19-20-22)10-18-28(26,27)17-6-4-13(5-7-17)23(24)25/h4-7,11,14-16,18H,2-3,8-10H2,1H3/t14-,15+,16-
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University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91627
PNG
(12t | alpha7 agonists 12t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1
Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91618
PNG
(18q | alpha7 agonists 18q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1
Show InChI InChI=1S/C23H33N4O/c1-27(2)20-11-12-21(27)14-19(13-20)26-15-18(24-25-26)16-28-23-10-6-5-9-22(23)17-7-3-4-8-17/h5-6,9-10,15,17,19-21H,3-4,7-8,11-14,16H2,1-2H3/q+1/t19-,20-,21+
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University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91620
PNG
(20q | alpha7 agonists 20q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H27N4O/c1-28(2)17-11-12-18(28)14-16(13-17)27-15-23(25-26-27)24(29)21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-10,15-18,29H,11-14H2,1-2H3/q+1/t16-,17-,18+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91622
PNG
(22q | alpha7 agonists 22q)
Show SMILES CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12
Show InChI InChI=1S/C24H29N4O2/c1-16(29)24-22-7-5-4-6-17(22)8-11-23(24)30-15-18-14-27(26-25-18)19-12-20-9-10-21(13-19)28(20,2)3/h4-8,11,14,19-21H,9-10,12-13,15H2,1-3H3/q+1/t19-,20-,21+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91623
PNG
(23q | alpha7 agonists 23q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1
Show InChI InChI=1S/C27H32N6O/c1-33(2)23-13-14-24(33)16-22(15-23)31-18-21(29-30-31)17-28-27(34)32-25-9-5-3-7-19(25)11-12-20-8-4-6-10-26(20)32/h3-10,18,22-24H,11-17H2,1-2H3/p+1/t22-,23-,24+
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91625
PNG
(10t | alpha7 agonists 10t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1
Show InChI InChI=1S/C13H21N5O/c1-9(19)14-7-10-8-18(16-15-10)13-5-11-3-4-12(6-13)17(11)2/h8,11-13H,3-7H2,1-2H3,(H,14,19)/t11-,12+,13-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91626
PNG
(11t | alpha7 agonists 11t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1
Show InChI InChI=1S/C16H26N4O/c1-19-12-5-6-13(19)10-14(9-12)20-11-15(17-18-20)16(21)7-3-2-4-8-16/h11-14,21H,2-10H2,1H3/t12-,13+,14-
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>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91630
PNG
(15t | alpha7 agonists 15t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1
Show InChI InChI=1S/C18H21N5S2/c1-22-13-6-7-14(22)9-15(8-13)23-10-12(20-21-23)11-24-18-19-16-4-2-3-5-17(16)25-18/h2-5,10,13-15H,6-9,11H2,1H3/t13-,14+,15-
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3.20E+4 -26.7n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91602
PNG
(alpha7 agonists 4)
Show SMILES Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O
Show InChI InChI=1S/C22H28N5O2/c1-25-20-7-5-4-6-19(20)21(12-22(25)28)29-14-15-13-26(24-23-15)16-10-17-8-9-18(11-16)27(17,2)3/h4-7,12-13,16-18H,8-11,14H2,1-3H3/q+1/t16-,17-,18+
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3.40E+4 -26.5n/an/an/an/an/a7.437



University of California, 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 ?l of 0.2 mg/ml an...


Taylor Research Group


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM92431
PNG
(TH09)
Show SMILES Cc1nc(SCc2ccccc2)c2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C20H16N2S2/c1-14-21-19(23-13-15-8-4-2-5-9-15)17-12-18(24-20(17)22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3
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n/an/a 1.00E+5n/an/an/an/a7.437



University of Copenhagen



Assay Description
The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...


J Biol Chem 287: 25241-54 (2012)


Article DOI: 10.1074/jbc.M112.360370
BindingDB Entry DOI: 10.7270/Q2N29VHP
More data for this
Ligand-Target Pair
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