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Compile Data Set for Download or QSAR

Found 504 hits with Last Name = 'pillan' 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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060242
PNG
(5-[3-(3,5-Dichloro-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H14Cl2N4O/c1-9-13(18-8-17-9)7-19-2-3-20(14(19)21)12-5-10(15)4-11(16)6-12/h4-6,8H,2-3,7H2,1H3,(H,17,18)/p+1
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0.0380n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060257
PNG
(3,3-Dimethyl-2,3-dihydro-indole-1-carboxylic acid ...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)N1CC(C)(C)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)
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0.260n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
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 [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
Show InChI InChI=1S/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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0.350n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060252
PNG
(5-[3-(3,5-Dimethyl-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)20-5-4-19(16(20)21)9-15-13(3)17-10-18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)/p+1
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0.420n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060245
PNG
(5-[3-(3-Chloro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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0.5n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060259
PNG
(5-[3-(3-Bromo-phenyl)-2-oxo-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H15BrN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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0.620n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060264
PNG
(4-Methyl-5-(2-oxo-3-m-tolyl-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(C)c1
Show InChI InChI=1S/C15H18N4O/c1-11-4-3-5-13(8-11)19-7-6-18(15(19)20)9-14-12(2)16-10-17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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0.930n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
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=1S/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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1n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060277
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-p...)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(.04,-15.11,;1.38,-15.88,;1.38,-17.43,;2.71,-18.2,;2.71,-19.74,;4.05,-17.43,;4.05,-15.88,;2.71,-15.1,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C16H19Cl2N3O/c17-12-7-13(18)9-14(8-12)20-5-6-21(16(20)22)15-10-19-3-1-11(15)2-4-19/h7-9,11,15H,1-6,10H2
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1n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
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 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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1.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060260
PNG
(4-Methyl-5-[3-(3-methylsulfanyl-phenyl)-2-oxo-imid...)
Show SMILES CSc1cccc(c1)N1CCN(Cc2[nH+]c[nH]c2C)C1=O
Show InChI InChI=1S/C15H18N4OS/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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1.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060269
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-pheny...)
Show SMILES Clc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:10:11:15.14:17.18,(3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C16H20ClN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
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2n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060266
PNG
(5-[3-(3-Cyano-phenyl)-2-oxo-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(c1)C#N
Show InChI InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)/p+1
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2.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060274
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-bromo-phenyl...)
Show SMILES Brc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |TLB:10:11:15.14:17.18,(7,-9.48,;8.35,-10.25,;8.35,-11.79,;9.67,-12.56,;11.02,-11.79,;11.02,-10.25,;9.67,-9.48,;12.33,-9.44,;13.74,-10.08,;14.77,-8.93,;14,-7.58,;14.61,-6.17,;14.83,-4.76,;16.08,-3.38,;17.88,-3.6,;17.59,-4.98,;15.76,-4.73,;15.22,-3.48,;15.64,-2.38,;12.49,-7.94,;11.34,-6.91,)|
Show InChI InChI=1S/C16H20BrN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
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3n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060253
PNG
(4-Methyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylmethyl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C14H16N4O/c1-11-13(16-10-15-11)9-17-7-8-18(14(17)19)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,16)/p+1
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3.40n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060249
PNG
(5-[3-(3-Methoxy-phenyl)-2-oxo-imidazolidin-1-ylmet...)
Show SMILES COc1cccc(c1)N1CCN(Cc2[nH+]c[nH]c2C)C1=O
Show InChI InChI=1S/C15H18N4O2/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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3.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060268
PNG
(5-[3-(3-Fluoro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(F)c1
Show InChI InChI=1S/C14H15FN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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3.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060247
PNG
(5-(2-Oxo-3-phenyl-imidazolidin-1-ylmethyl)-3H-imid...)
Show SMILES O=C1N(Cc2c[nH]c[nH+]2)CCN1c1ccccc1
Show InChI InChI=1S/C13H14N4O/c18-13-16(9-11-8-14-10-15-11)6-7-17(13)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,14,15)/p+1
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4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060273
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazo...)
Show SMILES Cc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:10:11:15.14:17.18,(3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C17H23N3O/c1-13-3-2-4-15(11-13)19-9-10-20(17(19)21)16-12-18-7-5-14(16)6-8-18/h2-4,11,14,16H,5-10,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060248
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methylsulfan...)
Show SMILES CSc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(.04,-13.57,;.04,-15.11,;1.38,-15.88,;1.38,-17.43,;2.71,-18.2,;4.05,-17.43,;4.05,-15.88,;2.71,-15.1,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C17H23N3OS/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
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6n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060241
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methoxy-phen...)
Show SMILES COc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(3.63,-17.88,;3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C17H23N3O2/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
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6n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060278
PNG
(4-Methyl-5-[3-(3-nitro-phenyl)-2-oxo-imidazolidin-...)
Show SMILES Cc1[nH+]c[nH]c1CN1CCN(C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N5O3/c1-10-13(16-9-15-10)8-17-5-6-18(14(17)20)11-3-2-4-12(7-11)19(21)22/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)/p+1
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6.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060271
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-phenyl-imidazol...)
Show SMILES O=C1N(CCN1c1ccccc1)C1CN2CCC1CC2 |THB:2:12:16.15:18.19,(4.37,-12.53,;5.53,-13.56,;7.04,-13.22,;7.81,-14.57,;6.78,-15.71,;5.38,-15.08,;4.05,-15.88,;4.05,-17.43,;2.71,-18.2,;1.38,-17.43,;1.38,-15.88,;2.71,-15.1,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,)|
Show InChI InChI=1S/C16H21N3O/c20-16-18(14-4-2-1-3-5-14)10-11-19(16)15-12-17-8-6-13(15)7-9-17/h1-5,13,15H,6-12H2
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8n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060244
PNG
(3,4-Dimethyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylme...)
Show SMILES Cc1c(CN2CCN(C2=O)c2ccccc2)[nH+]cn1C
Show InChI InChI=1S/C15H18N4O/c1-12-14(16-11-17(12)2)10-18-8-9-19(15(18)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3/p+1
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8.5n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060276
PNG
(4-Methyl-5-[2-oxo-3-(3-trifluoromethyl-phenyl)-imi...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O/c1-10-13(20-9-19-10)8-21-5-6-22(14(21)23)12-4-2-3-11(7-12)15(16,17)18/h2-4,7,9H,5-6,8H2,1H3,(H,19,20)/p+1
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9.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060250
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |TLB:12:13:17.16:19.20,(.04,-13.55,;.04,-15.09,;-1.28,-15.87,;1.38,-15.86,;1.38,-17.41,;2.71,-18.18,;4.05,-17.41,;4.05,-15.86,;2.71,-15.09,;5.37,-15.07,;6.77,-15.7,;7.8,-14.55,;7.03,-13.21,;7.64,-11.79,;7.87,-10.38,;9.13,-9,;10.93,-9.22,;10.64,-10.59,;8.81,-10.35,;8.26,-9.1,;8.68,-8,;5.52,-13.55,;4.37,-12.52,)|
Show InChI InChI=1S/C16H20N4O3/c21-16-18(13-2-1-3-14(10-13)20(22)23)8-9-19(16)15-11-17-6-4-12(15)5-7-17/h1-3,10,12,15H,4-9,11H2
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10n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060243
PNG
(1-(8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-3-phenyl...)
Show SMILES CN1C2CCC1CC(C2)N1CCN(C1=O)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23N3O/c1-18-14-7-8-15(18)12-16(11-14)20-10-9-19(17(20)21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
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12n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060251
PNG
(5-[3-(4-Chloro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-6-7-19(14(18)20)12-4-2-11(15)3-5-12/h2-5,9H,6-8H2,1H3,(H,16,17)/p+1
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19n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060258
PNG
(3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazol...)
Show SMILES O=C1N(CCN1c1cccc(c1)C#N)C1CN2CCC1CC2 |THB:2:14:18.17:20.21,(4.37,-12.53,;5.53,-13.56,;7.04,-13.22,;7.81,-14.57,;6.78,-15.72,;5.38,-15.08,;4.05,-15.88,;4.05,-17.43,;2.71,-18.2,;1.38,-17.43,;1.38,-15.88,;2.71,-15.1,;.04,-15.12,;-1.31,-14.34,;7.65,-11.81,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.61,;10.94,-9.23,)|
Show InChI InChI=1S/C17H20N4O/c18-11-13-2-1-3-15(10-13)20-8-9-21(17(20)22)16-12-19-6-4-14(16)5-7-19/h1-3,10,14,16H,4-9,12H2
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30n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060272
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(5-chloro-2-met...)
Show SMILES COc1ccc(Cl)cc1N1CCN(C2CN3CCC2CC3)C1=O |THB:12:13:17.16:19.20,(4.94,-17.11,;6.27,-17.88,;6.27,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;6.27,-24.04,;7.61,-21.73,;7.61,-20.19,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-16-3-2-13(18)10-14(16)20-8-9-21(17(20)22)15-11-19-6-4-12(15)5-7-19/h2-3,10,12,15H,4-9,11H2,1H3
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40n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060270
PNG
(1,4-Dimethyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylme...)
Show SMILES Cc1[nH]c[n+](C)c1CN1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C15H18N4O/c1-12-14(17(2)11-16-12)10-18-8-9-19(15(18)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3/p+1
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55n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060246
PNG
(1-Ethyl-4-methyl-5-(2-oxo-3-phenyl-imidazolidin-1-...)
Show SMILES CC[n+]1c[nH]c(C)c1CN1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C16H20N4O/c1-3-18-12-17-13(2)15(18)11-19-9-10-20(16(19)21)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3/p+1
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67n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060261
PNG
(3-Ethyl-4-methyl-5-(2-oxo-3-phenyl-imidazolidin-1-...)
Show SMILES CCn1c[nH+]c(CN2CCN(C2=O)c2ccccc2)c1C
Show InChI InChI=1S/C16H20N4O/c1-3-18-12-17-15(13(18)2)11-19-9-10-20(16(19)21)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3/p+1
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85n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060267
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromet...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:13:14:18.17:20.21,(-1.17,-14.36,;.04,-15.05,;-.21,-13.46,;-1.46,-15.63,;1.38,-15.82,;1.38,-17.37,;2.7,-18.14,;4.04,-17.37,;4.04,-15.82,;2.7,-15.05,;5.36,-15.03,;6.76,-15.66,;7.78,-14.52,;7.01,-13.17,;7.62,-11.77,;7.85,-10.36,;9.11,-8.98,;8.66,-7.99,;8.24,-9.07,;8.79,-10.32,;10.61,-10.57,;10.9,-9.2,;5.51,-13.52,;4.36,-12.49,)|
Show InChI InChI=1S/C17H20F3N3O/c18-17(19,20)13-2-1-3-14(10-13)22-8-9-23(16(22)24)15-11-21-6-4-12(15)5-7-21/h1-3,10,12,15H,4-9,11H2
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98n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060256
PNG
(1-(9-Methyl-9-aza-bicyclo[3.3.1]non-3-yl)-3-phenyl...)
Show SMILES CN1C2CCCC1CC(C2)N1CCN(C1=O)c1ccccc1 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H25N3O/c1-19-15-8-5-9-16(19)13-17(12-15)21-11-10-20(18(21)22)14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3
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190n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060265
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(4-chloro-pheny...)
Show SMILES Clc1ccc(cc1)N1CCN(C2CN3CCC2CC3)C1=O |THB:10:11:15.14:17.18,(.04,-18.2,;1.38,-17.43,;2.71,-18.2,;4.05,-17.43,;4.05,-15.87,;2.71,-15.1,;1.38,-15.87,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.1,;8.81,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C16H20ClN3O/c17-13-1-3-14(4-2-13)19-9-10-20(16(19)21)15-11-18-7-5-12(15)6-8-18/h1-4,12,15H,5-11H2
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210n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060275
PNG
(1-(3-Chloro-phenyl)-3-(9-methyl-9-aza-bicyclo[3.3....)
Show SMILES CN1C2CCCC1CC(C2)N1CCN(C1=O)c1cccc(Cl)c1 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24ClN3O/c1-20-14-5-3-6-15(20)12-17(11-14)22-9-8-21(18(22)23)16-7-2-4-13(19)10-16/h2,4,7,10,14-15,17H,3,5-6,8-9,11-12H2,1H3
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250n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060262
PNG
(5-[3-(2-Chloro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C14H15ClN4O/c1-10-12(17-9-16-10)8-18-6-7-19(14(18)20)13-5-3-2-4-11(13)15/h2-5,9H,6-8H2,1H3,(H,16,17)/p+1
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290n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060275
PNG
(1-(3-Chloro-phenyl)-3-(9-methyl-9-aza-bicyclo[3.3....)
Show SMILES CN1C2CCCC1CC(C2)N1CCN(C1=O)c1cccc(Cl)c1 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24ClN3O/c1-20-14-5-3-6-15(20)12-17(11-14)22-9-8-21(18(22)23)16-7-2-4-13(19)10-16/h2,4,7,10,14-15,17H,3,5-6,8-9,11-12H2,1H3
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360n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060263
PNG
(1-(5-Chloro-2-methoxy-phenyl)-3-(8-methyl-8-aza-bi...)
Show SMILES COc1ccc(Cl)cc1N1CCN(C2CC3CCC(C2)N3C)C1=O |TLB:12:13:20:16.17|
Show InChI InChI=1S/C18H24ClN3O2/c1-20-13-4-5-14(20)11-15(10-13)21-7-8-22(18(21)23)16-9-12(19)3-6-17(16)24-2/h3,6,9,13-15H,4-5,7-8,10-11H2,1-2H3
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400n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060255
PNG
(1-(3-Chloro-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1C2CCC1CC(C2)N1CCN(C1=O)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H22ClN3O/c1-19-13-5-6-14(19)11-16(10-13)21-8-7-20(17(21)22)15-4-2-3-12(18)9-15/h2-4,9,13-14,16H,5-8,10-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060254
PNG
(1-(5-Chloro-2-methoxy-phenyl)-3-(9-methyl-9-aza-bi...)
Show SMILES COc1ccc(Cl)cc1N1CCN(C2CC3CCCC(C2)N3C)C1=O |TLB:12:13:21:16.18.17|
Show InChI InChI=1S/C19H26ClN3O2/c1-21-14-4-3-5-15(21)12-16(11-14)22-8-9-23(19(22)24)17-10-13(20)6-7-18(17)25-2/h6-7,10,14-16H,3-5,8-9,11-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060255
PNG
(1-(3-Chloro-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2....)
Show SMILES CN1C2CCC1CC(C2)N1CCN(C1=O)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H22ClN3O/c1-19-13-5-6-14(19)11-16(10-13)21-8-7-20(17(21)22)15-4-2-3-12(18)9-15/h2-4,9,13-14,16H,5-8,10-11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk5/P25


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/cyclin D1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of AUR2


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329437
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES CNC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C16H15N5O/c1-18-15(22)11-9-13(12-7-8-19-16(17)21-12)20-14(11)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,18,22)(H2,17,19,21)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
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