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BDBM50071958 Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL419505

SMILES: Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl

InChI Key: InChIKey=JUXYQVLOCMVIJF-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 = 50071958   
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))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]-thymidine uptake


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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125n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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262n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dopamine receptor D2 subtype from primate


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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262n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at human dopamine receptor D2


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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547n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at human dopamine receptor D4


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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>5.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D4 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dopamine receptor D1 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50071958
PNG
(Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
UniProtKB/SwissProt

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>1.00E+4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against human Dopamine receptor D5 transfected in CHO cell membranes


Bioorg Med Chem Lett 8: 2715-8 (1999)


BindingDB Entry DOI: 10.7270/Q200018M
More data for this
Ligand-Target Pair