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BDBM50132693 4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide::4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide(Clebopride)::4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide::CHEMBL325109::Clebopride

SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=BVPWJMCABCPUQY-UHFFFAOYSA-N

Data: 21 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50132693   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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1.20n/an/an/an/an/an/an/an/a



University of North Texas

Curated by PDSP Ki Database




Synapse 38: 438-49 (2000)


Article DOI: 10.1002/1098-2396(20001215)38:4
BindingDB Entry DOI: 10.7270/Q2SN07HX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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1.30n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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2.20n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI


J Med Chem 35: 2355-63 (1992)


BindingDB Entry DOI: 10.7270/Q2R2120B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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3.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells


Bioorg Med Chem Lett 13: 3293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2639P5F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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10.4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 264: 1002-11 (1993)


BindingDB Entry DOI: 10.7270/Q2T1525C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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11.9n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand in rat striatum


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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12n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration


Bioorg Med Chem Lett 13: 3293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2639P5F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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18n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes


Bioorg Med Chem Lett 13: 3293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2639P5F
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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53.7n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


Article DOI: 10.1016/0014-2999(95)00786-5
BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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89n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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104n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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104n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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170n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration


Bioorg Med Chem Lett 13: 3293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2639P5F
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex


J Med Chem 36: 3707-20 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Mus musculus (Mouse))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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820n/an/an/an/an/an/an/an/a



NOVO Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 146: 113-20 (1988)


Article DOI: 10.1016/0014-2999(88)90492-x
BindingDB Entry DOI: 10.7270/Q21R6P1H
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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6.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes


Bioorg Med Chem Lett 13: 3293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2639P5F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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n/an/a 17n/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor


J Med Chem 35: 2355-63 (1992)


BindingDB Entry DOI: 10.7270/Q2R2120B
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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n/an/a 603n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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n/an/a 890n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair