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BDBM50119377 Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL124444::N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1

InChI Key: InChIKey=SIIDHHZTVIEQJK-UHFFFAOYSA-N

Data: 19 KI  1 IC50  1 EC50

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 21 hits for monomerid = 50119377   
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))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.920n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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2.14n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat hippocampus 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Biniding affinity for Dopamine receptor D4


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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36n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex alpha-1 adrenergic receptor by inhibition of [3H]prazosin binding


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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54n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex Alpha-2 adrenergic receptor was determined using [3H]-RX 81002 binding


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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84n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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87n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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110n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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110n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 long


J Med Chem 48: 694-709 (2005)


Article DOI: 10.1021/jm049612a
BindingDB Entry DOI: 10.7270/Q2H131HW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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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 from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay


Bioorg Med Chem 23: 6195-209 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7KGM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacement.


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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2.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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2.57E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity for rat striatum dopamine Dopamine receptor D1 by [3H]-SCH- -2339 displacement.


J Med Chem 46: 3822-39 (2003)


Article DOI: 10.1021/jm0211220
BindingDB Entry DOI: 10.7270/Q2H132RF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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n/an/an/an/a 1.5n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity in mitogenesis assay using Dopamine receptor D3 expressing CHO cells


J Med Chem 45: 4594-7 (2002)


BindingDB Entry DOI: 10.7270/Q2DR2W7K
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119377
PNG
(Benzofuran-2-carboxylic acid {4-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O3/c1-29-22-11-5-3-9-20(22)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-4-10-21(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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n/an/a 2.39n/an/an/an/an/an/a



National Institute on Drug AbuseIntramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis


J Med Chem 52: 2559-70 (2009)


Article DOI: 10.1021/jm900095y
BindingDB Entry DOI: 10.7270/Q2HX1DKJ
More data for this
Ligand-Target Pair