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Compile Data Set for Download or QSAR

Found 250 hits of Enz. Inhib. data with enzyme = '5-hydroxytryptamine receptor 3A' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322432
PNG
((R)-7-phenyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3ccccc3)c2s1
Show InChI InChI=1S/C24H24N2OS/c27-23(25-22-17-9-13-26(14-10-17)24(22)11-12-24)20-15-18-7-4-8-19(21(18)28-20)16-5-2-1-3-6-16/h1-8,15,17,22H,9-14H2,(H,25,27)/t22-/m1/s1
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30n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322274
PNG
(7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C18H19ClN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)
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48n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322440
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C17H20N4O/c22-16(14-12-3-1-2-4-13(12)19-20-14)18-15-11-5-9-21(10-6-11)17(15)7-8-17/h1-4,11,15H,5-10H2,(H,18,22)(H,19,20)/t15-/m1/s1
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79n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322427
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1
Show InChI InChI=1S/C21H21N3OS2/c25-19(23-18-13-4-9-24(10-5-13)21(18)6-7-21)16-12-14-2-1-3-15(17(14)27-16)20-22-8-11-26-20/h1-3,8,11-13,18H,4-7,9-10H2,(H,23,25)/t18-/m1/s1
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83n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322368
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-phenylbenzo...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(-c4ccccc4)c3s2)C2CCN1CC2
Show InChI InChI=1S/C24H26N2OS/c1-24(2)22(17-11-13-26(24)14-12-17)25-23(27)20-15-18-9-6-10-19(21(18)28-20)16-7-4-3-5-8-16/h3-10,15,17,22H,11-14H2,1-2H3,(H,25,27)/t22-/m1/s1
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100n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322430
PNG
((R)-7-(tert-butyl)-N-(1'-azaspiro[cyclopropane-1,2...)
Show SMILES CC(C)(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C22H28N2OS/c1-21(2,3)16-6-4-5-15-13-17(26-18(15)16)20(25)23-19-14-7-11-24(12-8-14)22(19)9-10-22/h4-6,13-14,19H,7-12H2,1-3H3,(H,23,25)/t19-/m1/s1
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110n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322275
PNG
(7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C18H19FN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)
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110n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322422
PNG
((R)-7-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H22N2OS/c1-12-3-2-4-14-11-15(23-16(12)14)18(22)20-17-13-5-9-21(10-6-13)19(17)7-8-19/h2-4,11,13,17H,5-10H2,1H3,(H,20,22)/t17-/m1/s1
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130n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322437
PNG
((R)-7-isopropoxy-N-(1'-azaspiro[cyclopropane-1,2'-...)
Show SMILES CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C21H26N2O2S/c1-13(2)25-16-5-3-4-15-12-17(26-18(15)16)20(24)22-19-14-6-10-23(11-7-14)21(19)8-9-21/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1
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160n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322362
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-methylbenzo...)
Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C19H24N2OS/c1-12-5-4-6-14-11-15(23-16(12)14)18(22)20-17-13-7-9-21(10-8-13)19(17,2)3/h4-6,11,13,17H,7-10H2,1-3H3,(H,20,22)/t17-/m1/s1
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170n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322406
PNG
((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1
Show InChI InChI=1S/C21H24N2OS/c24-20(22-19-14-6-10-23(11-7-14)21(19)8-9-21)17-12-15-2-1-3-16(13-4-5-13)18(15)25-17/h1-3,12-14,19H,4-11H2,(H,22,24)/t19-/m1/s1
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200n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322434
PNG
((R)-7-(1-methylcyclopropyl)-N-(1'-azaspiro[cyclopr...)
Show SMILES CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C22H26N2OS/c1-21(7-8-21)16-4-2-3-15-13-17(26-18(15)16)20(25)23-19-14-5-11-24(12-6-14)22(19)9-10-22/h2-4,13-14,19H,5-12H2,1H3,(H,23,25)/t19-/m1/s1
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200n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322354
PNG
((R)-7-cyclopropyl-N-(2,2-dimethylquinuclidin-3-yl)...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(C4CC4)c3s2)C2CCN1CC2
Show InChI InChI=1S/C21H26N2OS/c1-21(2)19(14-8-10-23(21)11-9-14)22-20(24)17-12-15-4-3-5-16(13-6-7-13)18(15)25-17/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1
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230n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322401
PNG
((R)-7-cyano-N-(1'-azaspiro[cyclopropane-1,2'-bicyc...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C#N)c2s1
Show InChI InChI=1S/C19H19N3OS/c20-11-14-3-1-2-13-10-15(24-16(13)14)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h1-3,10,12,17H,4-9H2,(H,21,23)/t17-/m1/s1
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260n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322193
PNG
((R)-7-chloro-N-(2,2-dimethylquinuclidin-3-yl)benzo...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(Cl)c3s2)C2CCN1CC2
Show InChI InChI=1S/C18H21ClN2OS/c1-18(2)16(11-6-8-21(18)9-7-11)20-17(22)14-10-12-4-3-5-13(19)15(12)23-14/h3-5,10-11,16H,6-9H2,1-2H3,(H,20,22)/t16-/m1/s1
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270n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322436
PNG
((R)-7-ethoxy-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES CCOc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C20H24N2O2S/c1-2-24-15-5-3-4-14-12-16(25-17(14)15)19(23)21-18-13-6-10-22(11-7-13)20(18)8-9-20/h3-5,12-13,18H,2,6-11H2,1H3,(H,21,23)/t18-/m1/s1
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290n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322393
PNG
((R)-7-chloro-6-methyl-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H21ClN2OS/c1-11-2-3-13-10-14(24-16(13)15(11)20)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h2-3,10,12,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1
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300n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322407
PNG
((R)-7-isopropyl-N-(1'-azaspiro[cyclopropane-1,2'-b...)
Show SMILES CC(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C21H26N2OS/c1-13(2)16-5-3-4-15-12-17(25-18(15)16)20(24)22-19-14-6-10-23(11-7-14)21(19)8-9-21/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1
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325n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322156
PNG
(N-(2,2-dimethylquinuclidin-3-yl)benzo[b]thiophene-...)
Show SMILES CC1(C)C(NC(=O)c2cc3ccccc3s2)C2CCN1CC2
Show InChI InChI=1S/C18H22N2OS/c1-18(2)16(12-7-9-20(18)10-8-12)19-17(21)15-11-13-5-3-4-6-14(13)22-15/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,21)
PDB

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340n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322399
PNG
((R)-7-chloro-6-fluoro-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Fc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C18H18ClFN2OS/c19-14-12(20)2-1-11-9-13(24-15(11)14)17(23)21-16-10-3-7-22(8-4-10)18(16)5-6-18/h1-2,9-10,16H,3-8H2,(H,21,23)/t16-/m1/s1
PDB

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370n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322271
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H20N2OS/c21-17(15-11-13-3-1-2-4-14(13)22-15)19-16-12-5-9-20(10-6-12)18(16)7-8-18/h1-4,11-12,16H,5-10H2,(H,19,21)
PDB

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390n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322424
PNG
((R)-7-(dimethylamino)-N-(1'-azaspiro[cyclopropane-...)
Show SMILES CN(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C20H25N3OS/c1-22(2)15-5-3-4-14-12-16(25-17(14)15)19(24)21-18-13-6-10-23(11-7-13)20(18)8-9-20/h3-5,12-13,18H,6-11H2,1-2H3,(H,21,24)/t18-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322369
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-(1-methylcy...)
Show SMILES CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C22H28N2OS/c1-21(2)19(14-7-11-24(21)12-8-14)23-20(25)17-13-15-5-4-6-16(18(15)26-17)22(3)9-10-22/h4-6,13-14,19H,7-12H2,1-3H3,(H,23,25)/t19-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322285
PNG
(5-fluoro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Fc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C18H19FN2OS/c19-13-1-2-14-12(9-13)10-15(23-14)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8H2,(H,20,22)
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322333
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccsc2cn1
Show InChI InChI=1S/C17H19N3OS/c21-16(13-9-12-3-8-22-14(12)10-18-13)19-15-11-1-6-20(7-2-11)17(15)4-5-17/h3,8-11,15H,1-2,4-7H2,(H,19,21)/t15-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322271
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H20N2OS/c21-17(15-11-13-3-1-2-4-14(13)22-15)19-16-12-5-9-20(10-6-12)18(16)7-8-18/h1-4,11-12,16H,5-10H2,(H,19,21)
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322365
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-(thiazol-2-...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(-c4nccs4)c3s2)C2CCN1CC2
Show InChI InChI=1S/C21H23N3OS2/c1-21(2)18(13-6-9-24(21)10-7-13)23-19(25)16-12-14-4-3-5-15(17(14)27-16)20-22-8-11-26-20/h3-5,8,11-13,18H,6-7,9-10H2,1-2H3,(H,23,25)/t18-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322446
PNG
((R)-7-(methoxymethyl)-N-(1'-azaspiro[cyclopropane-...)
Show SMILES COCc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C20H24N2O2S/c1-24-12-15-4-2-3-14-11-16(25-17(14)15)19(23)21-18-13-5-9-22(10-6-13)20(18)7-8-20/h2-4,11,13,18H,5-10,12H2,1H3,(H,21,23)/t18-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322352
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-methoxybenz...)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C19H24N2O2S/c1-19(2)17(12-7-9-21(19)10-8-12)20-18(22)15-11-13-5-4-6-14(23-3)16(13)24-15/h4-6,11-12,17H,7-10H2,1-3H3,(H,20,22)/t17-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322443
PNG
((R)-7-cyclopropyl-6-methyl-N-(1'-azaspiro[cyclopro...)
Show SMILES Cc1ccc2cc(sc2c1C1CC1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C22H26N2OS/c1-13-2-3-16-12-17(26-19(16)18(13)14-4-5-14)21(25)23-20-15-6-10-24(11-7-15)22(20)8-9-22/h2-3,12,14-15,20H,4-11H2,1H3,(H,23,25)/t20-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322350
PNG
((R)-7-chloro-N-(2,2-dimethylquinuclidin-3-yl)-6-fl...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3ccc(F)c(Cl)c3s2)C2CCN1CC2
Show InChI InChI=1S/C18H20ClFN2OS/c1-18(2)16(10-5-7-22(18)8-6-10)21-17(23)13-9-11-3-4-12(20)14(19)15(11)24-13/h3-4,9-10,16H,5-8H2,1-2H3,(H,21,23)/t16-/m1/s1
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Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322269
PNG
((R)-7-chloro-N-(2,2-dimethylquinuclidin-3-yl)-6-me...)
Show SMILES Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C19H23ClN2OS/c1-11-4-5-13-10-14(24-16(13)15(11)20)18(23)21-17-12-6-8-22(9-7-12)19(17,2)3/h4-5,10,12,17H,6-9H2,1-3H3,(H,21,23)/t17-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322310
PNG
((R)-3-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES Cc1csc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H22N2OS/c1-12-11-23-16-3-2-14(10-15(12)16)18(22)20-17-13-4-8-21(9-5-13)19(17)6-7-19/h2-3,10-11,13,17H,4-9H2,1H3,(H,20,22)/t17-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322402
PNG
((R)-7-methoxy-N-(1'-azaspiro[cyclopropane-1,2'-bic...)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H22N2O2S/c1-23-14-4-2-3-13-11-15(24-16(13)14)18(22)20-17-12-5-9-21(10-6-12)19(17)7-8-19/h2-4,11-12,17H,5-10H2,1H3,(H,20,22)/t17-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322156
PNG
(N-(2,2-dimethylquinuclidin-3-yl)benzo[b]thiophene-...)
Show SMILES CC1(C)C(NC(=O)c2cc3ccccc3s2)C2CCN1CC2
Show InChI InChI=1S/C18H22N2OS/c1-18(2)16(12-7-9-20(18)10-8-12)19-17(21)15-11-13-5-3-4-6-14(13)22-15/h3-6,11-12,16H,7-10H2,1-2H3,(H,19,21)
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322423
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES FC(F)(F)Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C20H21F3N2OS/c21-20(22,23)11-14-3-1-2-13-10-15(27-16(13)14)18(26)24-17-12-4-8-25(9-5-12)19(17)6-7-19/h1-3,10,12,17H,4-9,11H2,(H,24,26)/t17-/m1/s1
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Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322380
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-(methoxymet...)
Show SMILES COCc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C20H26N2O2S/c1-20(2)18(13-7-9-22(20)10-8-13)21-19(23)16-11-14-5-4-6-15(12-24-3)17(14)25-16/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,21,23)/t18-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322312
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C18H21N3O/c22-17(14-2-1-12-3-8-19-15(12)11-14)20-16-13-4-9-21(10-5-13)18(16)6-7-18/h1-3,8,11,13,16,19H,4-7,9-10H2,(H,20,22)/t16-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322415
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H21N3O/c22-17(15-11-13-3-1-2-4-14(13)19-15)20-16-12-5-9-21(10-6-12)18(16)7-8-18/h1-4,11-12,16,19H,5-10H2,(H,20,22)/t16-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322236
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-3-methylbenzo...)
Show SMILES Cc1csc2ccc(cc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C
Show InChI InChI=1S/C19H24N2OS/c1-12-11-23-16-5-4-14(10-15(12)16)18(22)20-17-13-6-8-21(9-7-13)19(17,2)3/h4-5,10-11,13,17H,6-9H2,1-3H3,(H,20,22)/t17-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322195
PNG
((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-fluoro-benz...)
Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(F)c3s2)C2CCN1CC2
Show InChI InChI=1S/C18H21FN2OS/c1-18(2)16(11-6-8-21(18)9-7-11)20-17(22)14-10-12-4-3-5-13(19)15(12)23-14/h3-5,10-11,16H,6-9H2,1-2H3,(H,20,22)/t16-/m1/s1
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US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322288
PNG
(5-chloro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Clc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C18H19ClN2OS/c19-13-1-2-14-12(9-13)10-15(23-14)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8H2,(H,20,22)
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Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322356
PNG
((R)-N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2...)
Show SMILES FC(F)(F)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
Show InChI InChI=1S/C19H19F3N2O2S/c20-19(21,22)26-13-3-1-2-12-10-14(27-15(12)13)17(25)23-16-11-4-8-24(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,23,25)/t16-/m1/s1
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895n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM322277
PNG
(N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]oct...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1
Show InChI InChI=1S/C18H20N2OS/c21-17(14-2-1-12-5-10-22-15(12)11-14)19-16-13-3-8-20(9-4-13)18(16)6-7-18/h1-2,5,10-11,13,16H,3-4,6-9H2,(H,19,21)
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910n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent


Assay Description
[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...


US Patent US10183938 (2019)

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


(Homo sapiens (Human))
BDBM82273
PNG
(CAS_167710-87-4 | RS 39604)
Show SMILES COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
Show InChI InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1087-95 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15922.x
BindingDB Entry DOI: 10.7270/Q2707ZX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85672
PNG
(S33084)
Show SMILES O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 293: 1048-62 (2000)


Article DOI: 10.1016/j.bioorg.2016.01.004
BindingDB Entry DOI: 10.7270/Q2ZC81DX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
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