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33 similar compounds to monomer 50232698

Compile data set for download or QSAR
Wt: 260.3
BDBM50032371
Wt: 274.4
BDBM50032376
Wt: 246.3
BDBM50032379
Purchase
Wt: 260.3
BDBM50054800
Wt: 260.3
BDBM50054804
Wt: 297.4
BDBM50207744
Wt: 297.4
BDBM50207752
Wt: 246.3
BDBM50275771
Purchase
Wt: 386.5
BDBM50135975
Wt: 556.4
BDBM50175513
Wt: 253.2
BDBM50232680
Wt: 404.4
BDBM50232666
Wt: 382.4
BDBM50232667
Wt: 341.3
BDBM50232671
Wt: 391.4
BDBM50232672
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 50032371,50032376,50032379,50054800,50054804,50207744,50207752,50275771,50135975,50175513,50232680,50232666,50232667,50232671,50232672   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50135975
PNG
(CHEMBL3752155)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=C(CCc4ccccc4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C27H30O2/c1-26-14-12-20(28)17-24(26)19(9-8-18-6-4-3-5-7-18)16-21-22-10-11-25(29)27(22,2)15-13-23(21)26/h3-7,12,14,16-17,21-23H,8-11,13,15H2,1-2H3/t21-,22-,23-,26+,27-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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14n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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14n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232667
PNG
(CHEMBL4060194)
Show SMILES CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-3-22(4-2)15-17-13-16-14-23(19-11-8-12-20(26-17)21(16)19)27(24,25)18-9-6-5-7-10-18/h5-14H,3-4,15H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232671
PNG
(CHEMBL4096141)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-12-14-10-19(24(21,22)13-6-3-2-4-7-13)15-8-5-9-16(18(14)15)23-17(12)11-20/h2-10,20H,11H2,1H3
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52n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054800
PNG
((1R,2S)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m1/s1
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170n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054800
PNG
((1R,2S)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m1/s1
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170n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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438n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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489n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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1.49E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232667
PNG
(CHEMBL4060194)
Show SMILES CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-3-22(4-2)15-17-13-16-14-23(19-11-8-12-20(26-17)21(16)19)27(24,25)18-9-6-5-7-10-18/h5-14H,3-4,15H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232667
PNG
(CHEMBL4060194)
Show SMILES CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-3-22(4-2)15-17-13-16-14-23(19-11-8-12-20(26-17)21(16)19)27(24,25)18-9-6-5-7-10-18/h5-14H,3-4,15H2,1-2H3
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4.35E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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5.97E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232667
PNG
(CHEMBL4060194)
Show SMILES CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-3-22(4-2)15-17-13-16-14-23(19-11-8-12-20(26-17)21(16)19)27(24,25)18-9-6-5-7-10-18/h5-14H,3-4,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232671
PNG
(CHEMBL4096141)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-12-14-10-19(24(21,22)13-6-3-2-4-7-13)15-8-5-9-16(18(14)15)23-17(12)11-20/h2-10,20H,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232671
PNG
(CHEMBL4096141)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-12-14-10-19(24(21,22)13-6-3-2-4-7-13)15-8-5-9-16(18(14)15)23-17(12)11-20/h2-10,20H,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232667
PNG
(CHEMBL4060194)
Show SMILES CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-3-22(4-2)15-17-13-16-14-23(19-11-8-12-20(26-17)21(16)19)27(24,25)18-9-6-5-7-10-18/h5-14H,3-4,15H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232671
PNG
(CHEMBL4096141)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-12-14-10-19(24(21,22)13-6-3-2-4-7-13)15-8-5-9-16(18(14)15)23-17(12)11-20/h2-10,20H,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232671
PNG
(CHEMBL4096141)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15NO4S/c1-12-14-10-19(24(21,22)13-6-3-2-4-7-13)15-8-5-9-16(18(14)15)23-17(12)11-20/h2-10,20H,11H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Concentration required to inhibit of N-methyl-D-aspartic acid (NMDA) receptor produced by oocytes


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50207744
PNG
(CHEMBL389597 | [(1R,2S)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at 5HT transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50207752
PNG
(CHEMBL388657 | [(1S,2R)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at NE transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50207752
PNG
(CHEMBL388657 | [(1S,2R)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at 5HT transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50207752
PNG
(CHEMBL388657 | [(1S,2R)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at DA transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50207744
PNG
(CHEMBL389597 | [(1R,2S)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at NE transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50207744
PNG
(CHEMBL389597 | [(1R,2S)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at DA transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50175513
PNG
(CHEMBL3808933)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(COc3ccc4nc(NCCN5CCOCC5)oc4c3)cc2)cc1Cl
Show InChI InChI=1S/C27H27Cl2N5O4/c28-22-7-5-20(15-23(22)29)32-26(35)31-19-3-1-18(2-4-19)17-37-21-6-8-24-25(16-21)38-27(33-24)30-9-10-34-11-13-36-14-12-34/h1-8,15-16H,9-14,17H2,(H,30,33)(H2,31,32,35)
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n/an/a 4.94E+4n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline uptake from rat brain NET


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032376
PNG
((1S,2R)-2-Dimethylaminomethyl-1-phenyl-cyclopropan...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
Show InChI InChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032371
PNG
((1S,2R)-2-Methylaminomethyl-1-phenyl-cyclopropanec...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
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