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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50007261   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 14n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060475
PNG
(6,7-Dihydro-5H-8-aza-benzo[3,4]cyclohepta[1,2-b]na...)
Show SMILES Nc1c-2c(CCCc3ccccc-23)nc2ccccc12
Show InChI InChI=1S/C18H16N2/c19-18-14-9-3-4-10-15(14)20-16-11-5-7-12-6-1-2-8-13(12)17(16)18/h1-4,6,8-10H,5,7,11H2,(H2,19,20)
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n/an/a 20n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 25n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 39n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060470
PNG
(10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...)
Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12
Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
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n/an/a 41n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 52n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 56n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 78n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 130n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060479
PNG
(3-Chloro-dibenzo[b,h][1,6]naphthyridin-7-ylamine |...)
Show SMILES Nc1c2ccccc2nc2c1cnc1cc(Cl)ccc21
Show InChI InChI=1S/C16H10ClN3/c17-9-5-6-11-14(7-9)19-8-12-15(18)10-3-1-2-4-13(10)20-16(11)12/h1-8H,(H2,18,20)
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n/an/a 200n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060470
PNG
(10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...)
Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12
Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
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n/an/a 200n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060470
PNG
(10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...)
Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12
Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
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n/an/a 240n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 350n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060477
PNG
(2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine | 2...)
Show SMILES Nc1c2CCCc2nc2ccccc12
Show InChI InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)
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n/an/a 600n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060474
PNG
(3-Methoxy-6,7-dihydro-5H-13-aza-benzo[3,4]cyclohep...)
Show SMILES COc1ccc-2c(CCCc3c(N)c4ccccc4nc-23)c1
Show InChI InChI=1S/C19H18N2O/c1-22-13-9-10-14-12(11-13)5-4-7-16-18(20)15-6-2-3-8-17(15)21-19(14)16/h2-3,6,8-11H,4-5,7H2,1H3,(H2,20,21)
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n/an/a 700n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060472
PNG
(6,7,8,9,10,11-Hexahydro-cycloocta[b]quinolin-12-yl...)
Show SMILES Nc1c2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C15H18N2/c16-15-11-7-3-1-2-4-9-13(11)17-14-10-6-5-8-12(14)15/h5-6,8,10H,1-4,7,9H2,(H2,16,17)
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n/an/a 800n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060472
PNG
(6,7,8,9,10,11-Hexahydro-cycloocta[b]quinolin-12-yl...)
Show SMILES Nc1c2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C15H18N2/c16-15-11-7-3-1-2-4-9-13(11)17-14-10-6-5-8-12(14)15/h5-6,8,10H,1-4,7,9H2,(H2,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060478
PNG
(3-Methoxy-5,6-dihydro-benzo[c]acridin-7-ylamine | ...)
Show SMILES COc1ccc-2c(CCc3c(N)c4ccccc4nc-23)c1
Show InChI InChI=1S/C18H16N2O/c1-21-12-7-9-13-11(10-12)6-8-15-17(19)14-4-2-3-5-16(14)20-18(13)15/h2-5,7,9-10H,6,8H2,1H3,(H2,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060473
PNG
(6,7-Dihydro-5H-13-aza-benzo[3,4]cyclohepta[1,2-b]n...)
Show SMILES Nc1c2CCCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C18H16N2/c19-17-14-9-3-4-11-16(14)20-18-13-8-2-1-6-12(13)7-5-10-15(17)18/h1-4,6,8-9,11H,5,7,10H2,(H2,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060472
PNG
(6,7,8,9,10,11-Hexahydro-cycloocta[b]quinolin-12-yl...)
Show SMILES Nc1c2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C15H18N2/c16-15-11-7-3-1-2-4-9-13(11)17-14-10-6-5-8-12(14)15/h5-6,8,10H,1-4,7,9H2,(H2,16,17)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060476
PNG
(5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...)
Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060485
PNG
(6,7-Dihydro-5H-benzo[2,3]azepino[4,5-b]quinolin-8-...)
Show SMILES Nc1c2CCNc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H15N3/c18-16-11-5-1-4-8-15(11)20-17-12-6-2-3-7-14(12)19-10-9-13(16)17/h1-8,19H,9-10H2,(H2,18,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM9074
PNG
(10H-indeno[1,2-b]quinolin-11-amine | 11H-indeno-[1...)
Show SMILES Nc1c2Cc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C16H12N2/c17-15-12-7-3-4-8-14(12)18-16-11-6-2-1-5-10(11)9-13(15)16/h1-8H,9H2,(H2,17,18)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060469
PNG
(2,3-Dimethyl-1H-cyclopenta[b]quinolin-9-ylamine | ...)
Show SMILES CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1|
Show InChI InChI=1S/C14H14N2/c1-8-7-11-13(15)10-5-3-4-6-12(10)16-14(11)9(8)2/h3-6H,7H2,1-2H3,(H2,15,16)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060474
PNG
(3-Methoxy-6,7-dihydro-5H-13-aza-benzo[3,4]cyclohep...)
Show SMILES COc1ccc-2c(CCCc3c(N)c4ccccc4nc-23)c1
Show InChI InChI=1S/C19H18N2O/c1-22-13-9-10-14-12(11-13)5-4-7-16-18(20)15-6-2-3-8-17(15)21-19(14)16/h2-3,6,8-11H,4-5,7H2,1H3,(H2,20,21)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060485
PNG
(6,7-Dihydro-5H-benzo[2,3]azepino[4,5-b]quinolin-8-...)
Show SMILES Nc1c2CCNc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H15N3/c18-16-11-5-1-4-8-15(11)20-17-12-6-2-3-7-14(12)19-10-9-13(16)17/h1-8,19H,9-10H2,(H2,18,20)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060480
PNG
(9-Amino-2,3-dimethyl-2,3-dihydro-1H-cyclopenta[b]q...)
Show SMILES CC1Cc2c(nc3ccccc3c2N)C1(C)O
Show InChI InChI=1S/C14H16N2O/c1-8-7-10-12(15)9-5-3-4-6-11(9)16-13(10)14(8,2)17/h3-6,8,17H,7H2,1-2H3,(H2,15,16)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060473
PNG
(6,7-Dihydro-5H-13-aza-benzo[3,4]cyclohepta[1,2-b]n...)
Show SMILES Nc1c2CCCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C18H16N2/c19-17-14-9-3-4-11-16(14)20-18-13-8-2-1-6-12(13)7-5-10-15(17)18/h1-4,6,8-9,11H,5,7,10H2,(H2,19,20)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060469
PNG
(2,3-Dimethyl-1H-cyclopenta[b]quinolin-9-ylamine | ...)
Show SMILES CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1|
Show InChI InChI=1S/C14H14N2/c1-8-7-11-13(15)10-5-3-4-6-12(10)16-14(11)9(8)2/h3-6H,7H2,1-2H3,(H2,15,16)
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060478
PNG
(3-Methoxy-5,6-dihydro-benzo[c]acridin-7-ylamine | ...)
Show SMILES COc1ccc-2c(CCc3c(N)c4ccccc4nc-23)c1
Show InChI InChI=1S/C18H16N2O/c1-21-12-7-9-13-11(10-12)6-8-15-17(19)14-4-2-3-5-16(14)20-18(13)15/h2-5,7,9-10H,6,8H2,1H3,(H2,19,20)
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060469
PNG
(2,3-Dimethyl-1H-cyclopenta[b]quinolin-9-ylamine | ...)
Show SMILES CC1=C(C)c2nc3ccccc3c(N)c2C1 |c:1|
Show InChI InChI=1S/C14H14N2/c1-8-7-11-13(15)10-5-3-4-6-12(10)16-14(11)9(8)2/h3-6H,7H2,1-2H3,(H2,15,16)
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060470
PNG
(10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...)
Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12
Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060476
PNG
(5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...)
Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060476
PNG
(5,6,7,8-tetrahydrobenzo[2,3]azocino[4,5-b]quinolin...)
Show SMILES Nc1c2CCCNc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C18H17N3/c19-17-12-6-1-4-10-16(12)21-18-13-7-2-3-9-15(13)20-11-5-8-14(17)18/h1-4,6-7,9-10,20H,5,8,11H2,(H2,19,21)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060483
PNG
(7,8,9,10-Tetrahydro-6H-cyclohepta[b]quinolin-11-yl...)
Show SMILES Nc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060484
PNG
(9-Amino-3-butyl-2-methyl-2,3-dihydro-1H-cyclopenta...)
Show SMILES CCCCC1(O)C(C)Cc2c1nc1ccccc1c2N
Show InChI InChI=1S/C17H22N2O/c1-3-4-9-17(20)11(2)10-13-15(18)12-7-5-6-8-14(12)19-16(13)17/h5-8,11,20H,3-4,9-10H2,1-2H3,(H2,18,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50060472
PNG
(6,7,8,9,10,11-Hexahydro-cycloocta[b]quinolin-12-yl...)
Show SMILES Nc1c2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C15H18N2/c16-15-11-7-3-1-2-4-9-13(11)17-14-10-6-5-8-12(14)15/h5-6,8,10H,1-4,7,9H2,(H2,16,17)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase, isolated from rat brain.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060471
PNG
(4-Chloro-5,6-dihydro-benzo[c]acridin-7-ylamine | C...)
Show SMILES Nc1c2CCc3c(Cl)cccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H13ClN2/c18-14-6-3-5-11-10(14)8-9-13-16(19)12-4-1-2-7-15(12)20-17(11)13/h1-7H,8-9H2,(H2,19,20)
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060484
PNG
(9-Amino-3-butyl-2-methyl-2,3-dihydro-1H-cyclopenta...)
Show SMILES CCCCC1(O)C(C)Cc2c1nc1ccccc1c2N
Show InChI InChI=1S/C17H22N2O/c1-3-4-9-17(20)11(2)10-13-15(18)12-7-5-6-8-14(12)19-16(13)17/h5-8,11,20H,3-4,9-10H2,1-2H3,(H2,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50060481
PNG
(5,6-Dihydro-benzo[c]acridin-7-ylamine | 5,6-dihydr...)
Show SMILES Nc1c2CCc3ccccc3-c2nc2ccccc12
Show InChI InChI=1S/C17H14N2/c18-16-13-7-3-4-8-15(13)19-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2,(H2,18,19)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50060480
PNG
(9-Amino-2,3-dimethyl-2,3-dihydro-1H-cyclopenta[b]q...)
Show SMILES CC1Cc2c(nc3ccccc3c2N)C1(C)O
Show InChI InChI=1S/C14H16N2O/c1-8-7-10-12(15)9-5-3-4-6-11(9)16-13(10)14(8,2)17/h3-6,8,17H,7H2,1-2H3,(H2,15,16)
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
In vitro inhibition of Butyrylcholinesterase from human plasma.


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50060482
PNG
(1,15,15-trimethyl-3-azatetracyclo[10.2.1.0^{2,11}....)
Show SMILES CC1(C)C2CCC1(C)c1nc3ccccc3c(N)c21
Show InChI InChI=1S/C17H20N2/c1-16(2)11-8-9-17(16,3)15-13(11)14(18)10-6-4-5-7-12(10)19-15/h4-7,11H,8-9H2,1-3H3,(H2,18,19)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate


J Med Chem 40: 3516-23 (1997)


Article DOI: 10.1021/jm970150t
BindingDB Entry DOI: 10.7270/Q25H7FC9
More data for this
Ligand-Target Pair
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