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Compile Data Set for Download or QSAR

Found 813 hits with Last Name = 'fisher' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398597
PNG
(CHEMBL2179584)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
Show InChI InChI=1S/C21H30N2O3/c1-2-3-12-23-13-10-16(11-14-23)15-24-21-20-18(25-17-6-4-7-17)8-5-9-19(20)26-22-21/h5,8-9,16-17H,2-4,6-7,10-15H2,1H3
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0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398593
PNG
(CHEMBL2179587)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
Show InChI InChI=1S/C21H32N2O3/c1-4-5-11-23-12-9-17(10-13-23)15-25-21-20-18(24-14-16(2)3)7-6-8-19(20)26-22-21/h6-8,16-17H,4-5,9-15H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398596
PNG
(CHEMBL2179589)
Show SMILES CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O5/c1-17(2)14-28-19-4-3-5-20-21(19)22(24-30-20)29-15-18-6-10-25(11-7-18)16-23(26)8-12-27-13-9-23/h3-5,17-18,26H,6-16H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora B ATP binding site by rapid dilution method


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398599
PNG
(CHEMBL2179580)
Show SMILES O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12 |r|
Show InChI InChI=1S/C24H34N2O6/c27-18-4-5-19(14-18)31-20-2-1-3-21-22(20)23(25-32-21)30-15-17-6-10-26(11-7-17)16-24(28)8-12-29-13-9-24/h1-3,17-19,27-28H,4-16H2/t18-,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398594
PNG
(CHEMBL2179585)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398595
PNG
(CHEMBL2179586)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-12-24-13-10-18(11-14-24)16-26-22-21-19(25-15-17-6-4-7-17)8-5-9-20(21)27-23-22/h5,8-9,17-18H,2-4,6-7,10-16H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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1.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora B ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398592
PNG
(CHEMBL2179590)
Show SMILES CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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3.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 61: 1001-1018 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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4.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398591
PNG
(CHEMBL2179581)
Show SMILES OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2
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4.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228703
PNG
(CHEMBL155823)
Show SMILES Clc1cccc2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CCc12
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5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398589
PNG
(CHEMBL2179588)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1
Show InChI InChI=1S/C22H34N2O3/c1-5-6-12-24-13-10-17(11-14-24)15-25-21-20-18(26-16-22(2,3)4)8-7-9-19(20)27-23-21/h7-9,17H,5-6,10-16H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228680
PNG
(CHEMBL345810)
Show SMILES [H][C@@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
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6.30n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398588
PNG
(CHEMBL2179582)
Show SMILES CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)


Article DOI: 10.1021/jm300953p
BindingDB Entry DOI: 10.7270/Q2FQ9XRB
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228679
PNG
(CHEMBL160918)
Show SMILES Clc1ccc2CCCC3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CCc1c23
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7.90n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM66983
PNG
(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazep...)
Show SMILES CN1CCc2cccc(Cl)c2CC1
Show InChI InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228695
PNG
(CHEMBL156585)
Show SMILES Clc1ccc2CCCC3CN(CC=C)CCc1c23
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7.90n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228685
PNG
(CHEMBL1202289)
Show SMILES Br.CN1CCc2c3C(CCc3ccc2Cl)C1
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7.90n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228699
PNG
(CHEMBL345214)
Show SMILES CN1CCc2c(Cl)ccc3CCCC(C1)c23
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10n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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13n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228684
PNG
(CHEMBL1203597)
Show SMILES Cl.COc1ccc2CCCC3CN(CC=C)CCc1c23
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13n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228690
PNG
(CHEMBL346122)
Show SMILES CCN1CCc2c(Cl)ccc3CCCC(C1)c23
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16n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228700
PNG
(CHEMBL1202288)
Show SMILES Br.CN1CCc2cccc3CCC(C1)c23
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16n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228706
PNG
(CHEMBL1203631)
Show SMILES Cl.C=CCN1CCc2cccc3CCCC(C1)c23
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20n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228686
PNG
(CHEMBL160607)
Show SMILES [H][C@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
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20n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228696
PNG
(CHEMBL1203603)
Show SMILES Cl.COc1ccc2CCCC3CN(C)CCc1c23
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25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228689
PNG
(CHEMBL156229)
Show SMILES CN1CCc2ccc(Cl)c3CCC(C1)c23
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25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228709
PNG
(CHEMBL1203625)
Show SMILES Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2CC1
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25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228685
PNG
(CHEMBL1202289)
Show SMILES Br.CN1CCc2c3C(CCc3ccc2Cl)C1
KEGG

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PC cid
PC sid
UniChem
PubMed
25n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228683
PNG
(CHEMBL348058)
Show SMILES CCCN1CCc2c(Cl)ccc3CCCC(C1)c23
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
32n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50228701
PNG
(CHEMBL1202291)
Show SMILES Br.CN1CCc2c(Cl)ccc3[nH]cc(C1)c23
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
32n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL




J Med Chem 33: 633-41 (1990)


BindingDB Entry DOI: 10.7270/Q26T0PV7
More data for this
Ligand-Target Pair
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