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Compile Data Set for Download or QSAR

Found 713 hits with Last Name = 'michel' and Initial = 'a'   
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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/s2
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0.000340n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric analysis


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000453
PNG
(CHEMBL540055)
Show SMILES Cl.COc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/s2
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000523
PNG
(CHEMBL544784)
Show SMILES Cl.O=c1n(cc2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C19H22N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/s2
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0.160n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000457
PNG
(CHEMBL542904)
Show SMILES Cl.CCc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2
Show InChI InChI=1/C18H24N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,14,17H,2,6-12H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000471
PNG
(CHEMBL542900)
Show SMILES Cl.CCc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/s2
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000450
PNG
(CHEMBL542669)
Show SMILES Cl.COc1cccc2C(=O)N(CCc12)C1CN2CCC1CC2
Show InChI InChI=1/C17H22N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,12,15H,5-11H2,1H3;1H
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0.200n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160917
PNG
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)
Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)
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0.300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR


Bioorg Med Chem Lett 16: 2666-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000475
PNG
(CHEMBL555068)
Show SMILES Cl.Cc1cccc2C(=O)N(CCc12)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C17H22N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,13,16H,5-11H2,1H3;1H/t16-;/s2
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0.320n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000460
PNG
(CHEMBL540057)
Show SMILES Cl.O=C1N(C[C@@H]2CCCc3cccc1c23)C1CN2CCC1CC2
Show InChI InChI=1/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17?;/s2
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0.320n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000455
PNG
(CHEMBL2093898)
Show SMILES Cl.Cn1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1/C17H21N3O.ClH/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20;/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21);1H/t15-;/s2
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0.400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000469
PNG
(CHEMBL542903)
Show SMILES Cl.O=c1n(cc2CCCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C20H24N2O.ClH/c23-20-17-7-3-6-15-4-1-2-5-16(19(15)17)12-22(20)18-13-21-10-8-14(18)9-11-21;/h3,6-7,12,14,18H,1-2,4-5,8-11,13H2;1H/t18-;/s2
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0.400n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.603n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin


J Med Chem 26: 855-61 (1983)


Article DOI: 10.1021/jm00360a013
BindingDB Entry DOI: 10.7270/Q2TH8PW6
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000445
PNG
(CHEMBL555038)
Show SMILES Cl.Cc1cccc2c1ccn(C1CN3CCC1CC3)c2=O
Show InChI InChI=1/C17H20N2O.ClH/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18;/h2-4,7,10,13,16H,5-6,8-9,11H2,1H3;1H
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0.630n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000462
PNG
(CHEMBL545719)
Show SMILES Cl.O=c1n(cc2CCc3cccc1c23)C1CN2CCC1CC2
Show InChI InChI=1/C18H20N2O.ClH/c21-18-15-3-1-2-13-4-5-14(17(13)15)10-20(18)16-11-19-8-6-12(16)7-9-19;/h1-3,10,12,16H,4-9,11H2;1H
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0.630n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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0.790n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000446
PNG
(CHEMBL88565)
Show SMILES CN1C2CCC1CC(C2)n1cc2CCCc3cccc(c23)c1=O
Show InChI InChI=1/C20H24N2O/c1-21-15-8-9-16(21)11-17(10-15)22-12-14-6-2-4-13-5-3-7-18(19(13)14)20(22)23/h3,5,7,12,15-17H,2,4,6,8-11H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000468
PNG
(CHEMBL539020)
Show SMILES Cl.Cc1cccc2c1c(C)cn(C1CN3CCC1CC3)c2=O
Show InChI InChI=1/C18H22N2O.ClH/c1-12-4-3-5-15-17(12)13(2)10-20(18(15)21)16-11-19-8-6-14(16)7-9-19;/h3-5,10,14,16H,6-9,11H2,1-2H3;1H
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1n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000472
PNG
(CHEMBL555199)
Show SMILES Cl.Cn1cc(C(=O)NC2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1/C17H21N3O.ClH/c1-19-10-14(13-4-2-3-5-16(13)19)17(21)18-15-11-20-8-6-12(15)7-9-20;/h2-5,10,12,15H,6-9,11H2,1H3,(H,18,21);1H
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2n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1/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+
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2n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000466
PNG
(CHEMBL540040)
Show SMILES Cl.O=c1n(cc(-c2ccccc2)c2ccccc12)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C22H22N2O.ClH/c25-22-19-9-5-4-8-18(19)20(16-6-2-1-3-7-16)14-24(22)21-15-23-12-10-17(21)11-13-23;/h1-9,14,17,21H,10-13,15H2;1H/t21-;/s2
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2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000449
PNG
(CHEMBL545717)
Show SMILES Cl.O=C1N(C[C@H]2CCCc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/s2
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2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000459
PNG
(CHEMBL553733)
Show SMILES Cl.Clc1cccc2c1ccn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1/C16H17ClN2O.ClH/c17-14-3-1-2-13-12(14)6-9-19(16(13)20)15-10-18-7-4-11(15)5-8-18;/h1-3,6,9,11,15H,4-5,7-8,10H2;1H/t15-;/s2
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2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000454
PNG
(CHEMBL540568)
Show SMILES Cl.COc1cccc2c1ccn(C1CC3CCC(C1)N3C)c2=O
Show InChI InChI=1/C18H22N2O2.ClH/c1-19-12-6-7-13(19)11-14(10-12)20-9-8-15-16(18(20)21)4-3-5-17(15)22-2;/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3;1H
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2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000467
PNG
(CHEMBL544785)
Show SMILES Cl.O=C(NC1CN2CCC1CC2)c1c2CCCCn2c2ccccc12
Show InChI InChI=1/C20H25N3O.ClH/c24-20(21-16-13-22-11-8-14(16)9-12-22)19-15-5-1-2-6-17(15)23-10-4-3-7-18(19)23;/h1-2,5-6,14,16H,3-4,7-13H2,(H,21,24);1H
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2.5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50031475
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000464
PNG
(CHEMBL540820)
Show SMILES Cl.O=c1n(ccc2ccccc12)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C16H18N2O.ClH/c19-16-14-4-2-1-3-12(14)7-10-18(16)15-11-17-8-5-13(15)6-9-17;/h1-4,7,10,13,15H,5-6,8-9,11H2;1H/t15-;/s2
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4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000476
PNG
(CHEMBL543136)
Show SMILES Cl.O=C1N(C[C@@H]2CCCc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/s2
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4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000456
PNG
(CHEMBL555582)
Show SMILES Cl.CCCc1cn([C@@H]2CN3CCC2CC3)c(=O)c2ccccc12
Show InChI InChI=1/C19H24N2O.ClH/c1-2-5-15-12-21(18-13-20-10-8-14(18)9-11-20)19(22)17-7-4-3-6-16(15)17;/h3-4,6-7,12,14,18H,2,5,8-11,13H2,1H3;1H/t18-;/s2
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5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000448
PNG
(CHEMBL315518)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1c2CCCCCn2c2ccccc12
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-14-23-12-9-15(17)10-13-23)20-16-6-3-4-7-18(16)24-11-5-1-2-8-19(20)24/h3-4,6-7,15,17H,1-2,5,8-14H2,(H,22,25)/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000530
PNG
(CHEMBL540547)
Show SMILES Cl.O=c1n(cc2CCCc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1/C19H22N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,11,13,17H,1,3,5,7-10,12H2;1H/t17-;/s2
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7.90n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000452
PNG
(CHEMBL554341)
Show SMILES Cl.O=c1n(ccc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C16H18N2O.ClH/c19-16-14-4-2-1-3-12(14)7-10-18(16)15-11-17-8-5-13(15)6-9-17;/h1-4,7,10,13,15H,5-6,8-9,11H2;1H
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10n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000461
PNG
(CHEMBL539785)
Show SMILES Cl.O=C1N(CCc2ccccc12)C1CN2CCC1CC2
Show InChI InChI=1/C16H20N2O.ClH/c19-16-14-4-2-1-3-12(14)7-10-18(16)15-11-17-8-5-13(15)6-9-17;/h1-4,13,15H,5-11H2;1H
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10n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000500
PNG
(CHEMBL539275)
Show SMILES Cl.COc1cccc2C(=O)N(CCc12)C1CC2CCC(C1)N2C
Show InChI InChI=1/C18H24N2O2.ClH/c1-19-12-6-7-13(19)11-14(10-12)20-9-8-15-16(18(20)21)4-3-5-17(15)22-2;/h3-5,12-14H,6-11H2,1-2H3;1H
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10n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000529
PNG
(CHEMBL540823)
Show SMILES Cl.O=C(N[C@H]1CN2CCC1CC2)c1c2CCCCn2c2ccccc12
Show InChI InChI=1/C20H25N3O.ClH/c24-20(21-16-13-22-11-8-14(16)9-12-22)19-15-5-1-2-6-17(15)23-10-4-3-7-18(19)23;/h1-2,5-6,14,16H,3-4,7-13H2,(H,21,24);1H/t16-;/s2
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13n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000458
PNG
(CHEMBL554259)
Show SMILES Cl.COc1ccc2c3c(CCCc13)cn([C@@H]1CN3CCC1CC3)c2=O
Show InChI InChI=1/C20H24N2O2.ClH/c1-24-18-6-5-16-19-14(3-2-4-15(18)19)11-22(20(16)23)17-12-21-9-7-13(17)8-10-21;/h5-6,11,13,17H,2-4,7-10,12H2,1H3;1H/t17-;/s2
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13n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50033113
PNG
(CHEMBL279516 | INDORAMIN | INDORAMINE | INDORAMINN...)
Show SMILES O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin.


J Med Chem 26: 855-61 (1983)


Article DOI: 10.1021/jm00360a013
BindingDB Entry DOI: 10.7270/Q2TH8PW6
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000463
PNG
(CHEMBL541844)
Show SMILES Cl.O=c1n(cc2CCc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1/C18H20N2O.ClH/c21-18-15-3-1-2-13-4-5-14(17(13)15)10-20(18)16-11-19-8-6-12(16)7-9-19;/h1-3,10,12,16H,4-9,11H2;1H/t16-;/s2
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25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398391
PNG
(CHEMBL2178602)
Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCO)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C23H28N8O4/c1-35-22(34)15-6-8-30(9-7-15)21(33)14-2-4-17(5-3-14)31(10-11-32)13-16-12-26-20-18(27-16)19(24)28-23(25)29-20/h2-5,12,15,32H,6-11,13H2,1H3,(H4,24,25,26,28,29)
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30n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398394
PNG
(CHEMBL1232702)
Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)
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37n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50224806
PNG
(CHEMBL355655)
Show SMILES O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1
Show InChI InChI=1S/C18H23N3O2/c22-17-12-23-18(13-20-17)6-9-21(10-7-18)8-5-14-11-19-16-4-2-1-3-15(14)16/h1-4,11,19H,5-10,12-13H2,(H,20,22)
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin.


J Med Chem 26: 855-61 (1983)


Article DOI: 10.1021/jm00360a013
BindingDB Entry DOI: 10.7270/Q2TH8PW6
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000447
PNG
(CHEMBL538027)
Show SMILES Cl.Cc1c(C(=O)NC2CN3CCC2CC3)c2ccccc2n1C
Show InChI InChI=1/C18H23N3O.ClH/c1-12-17(14-5-3-4-6-16(14)20(12)2)18(22)19-15-11-21-9-7-13(15)8-10-21;/h3-6,13,15H,7-11H2,1-2H3,(H,19,22);1H
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40n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50446088
PNG
(CHEMBL3108870)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nncs2)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O3S2/c17-13-7-10(1-6-14(13)18)8-15(23)20-11-2-4-12(5-3-11)27(24,25)22-16-21-19-9-26-16/h1-7,9H,8H2,(H,20,23)(H,21,22)
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52n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition Trypanosoma brucei PFK using fructose-6-phosphate as substrate by Line-weaver Burk plot analysis


ACS Med Chem Lett 5: 12-7 (2014)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398392
PNG
(CHEMBL2178603)
Show SMILES CCc1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1C(=O)N1CCC(CC1)C(=O)OC
Show InChI InChI=1S/C23H28N8O3/c1-3-13-4-5-15(10-17(13)21(32)31-8-6-14(7-9-31)22(33)34-2)26-11-16-12-27-20-18(28-16)19(24)29-23(25)30-20/h4-5,10,12,14,26H,3,6-9,11H2,1-2H3,(H4,24,25,27,29,30)
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60n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398390
PNG
(CHEMBL2177120)
Show SMILES CCc1cc(ccc1NCc1cnc2nc(N)nc(N)c2n1)C(=O)N1CCC(CC1)C(=O)OC
Show InChI InChI=1S/C23H28N8O3/c1-3-13-10-15(21(32)31-8-6-14(7-9-31)22(33)34-2)4-5-17(13)26-11-16-12-27-20-18(28-16)19(24)29-23(25)30-20/h4-5,10,12,14,26H,3,6-9,11H2,1-2H3,(H4,24,25,27,29,30)
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78n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398389
PNG
(CHEMBL2178601)
Show SMILES CCOC(=O)CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OC
Show InChI InChI=1S/C25H30N8O5/c1-3-38-19(34)14-33(13-17-12-28-22-20(29-17)21(26)30-25(27)31-22)18-6-4-15(5-7-18)23(35)32-10-8-16(9-11-32)24(36)37-2/h4-7,12,16H,3,8-11,13-14H2,1-2H3,(H4,26,27,28,30,31)
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100n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50398395
PNG
(CHEMBL1232399)
Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)
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100n/an/an/an/an/an/an/an/a



Universita` degli Studi di Sassari

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 by spectrophotometric assay


J Med Chem 55: 8318-29 (2012)


Article DOI: 10.1021/jm300563f
BindingDB Entry DOI: 10.7270/Q2R49RXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000451
PNG
(CHEMBL542668)
Show SMILES Cl.COc1ccc2CCCc3cn(C4CN5CCC4CC5)c(=O)c1c23
Show InChI InChI=1/C20H24N2O2.ClH/c1-24-17-6-5-14-3-2-4-15-11-22(20(23)19(17)18(14)15)16-12-21-9-7-13(16)8-10-21;/h5-6,11,13,16H,2-4,7-10,12H2,1H3;1H
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158n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
Article DOI: 10.1021/jm00070a008
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair
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