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BDBM50176070 7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL196476::N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-7-methoxybenzofuran-2-carboxamide

SMILES: COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=OVCZXWAILUTIOQ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50176070   
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


(Homo sapiens (Human))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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PubMed
0.130n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expressed in CHO cells


J Med Chem 49: 358-65 (2006)


Article DOI: 10.1021/jm050734s
BindingDB Entry DOI: 10.7270/Q2TX3F0W
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
KEGG

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0.130n/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


(Homo sapiens (Human))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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0.130n/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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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110n/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
OPIATE Sigma


(RAT)
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
PDB

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UniChem

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180n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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184n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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373n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from cloned human dopamine receptor D2(long) expressed in rat C6 glioma cells


J Med Chem 49: 358-65 (2006)


Article DOI: 10.1021/jm050734s
BindingDB Entry DOI: 10.7270/Q2TX3F0W
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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373n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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Article
PubMed
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