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BDBM50342717 4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide::4'-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide::CHEMBL294747

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1

InChI Key: InChIKey=JARNORYOPMINDY-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50342717   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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Article
0.320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


Citation and Details
Checked by Author
Article DOI: 10.1016/S0960-894X(97)00350-8
BindingDB Entry DOI: 10.7270/Q2R49S9S
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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Article
PubMed
0.320n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


Bioorg Med Chem Lett 21: 2670-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.083
BindingDB Entry DOI: 10.7270/Q2GF0TT4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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Article
3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Ability to displace [125I]iodosulpiride from 5-hydroxytryptamine 1A receptor


Citation and Details
Checked by Author
Article DOI: 10.1016/S0960-894X(97)00350-8
BindingDB Entry DOI: 10.7270/Q2R49S9S
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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Article
40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells


Citation and Details
Checked by Author
Article DOI: 10.1016/S0960-894X(97)00350-8
BindingDB Entry DOI: 10.7270/Q2R49S9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine D4 receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair
Dopamine receptors; D1 & D2


(RAT)
BDBM50342717
PNG
(4'-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-meth...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B33GZ
More data for this
Ligand-Target Pair