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BDBM50122041 1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL345820::N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1-methoxy-2-naphthamide

SMILES: COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=JIFZJJHUCHFIGP-UHFFFAOYSA-N

Data: 11 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50122041   
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(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat dopamine D3 receptor using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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342n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat Opioid receptor sigma 1 using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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575n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes


J Med Chem 45: 5727-35 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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575n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat 5-Hydroxytryptamine receptor using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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720n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity towards rat dopamine D2 receptor using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand


J Med Chem 45: 5727-35 (2002)


BindingDB Entry DOI: 10.7270/Q2TT4RQC
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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830n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat dopamine D4 receptor using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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5.10E+3n/an/an/an/an/an/an/an/a



University of Milano/Bicocca

Curated by ChEMBL


Assay Description
Binding affinity for rat Alpha-1A adrenergic receptor using [11C] radiotracer


J Med Chem 48: 7018-23 (2005)


Article DOI: 10.1021/jm050171k
BindingDB Entry DOI: 10.7270/Q2H994SR
More data for this
Ligand-Target Pair