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BDBM50069907 1-benzyl-4-(3-hydroxyphenyl)piperazine::3-(4-Benzyl-piperazin-1-yl)-phenol::CHEMBL88365

SMILES: Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=BISVFNHMXVNVMG-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 50069907   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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PubMed
4.60n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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5.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity towards dopamine D2 receptor using radioligand [3H]-spiperone in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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5.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]-quinpirole


Bioorg Med Chem Lett 8: 2675-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00474-0
BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D3 receptor


Citation and Details
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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29n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned dopamine (hD3) receptor expressed in CHO cells using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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Article
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29n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D3 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00474-0
BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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95n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was determined for low antagonist state in rat striatal membranes using [...


Bioorg Med Chem Lett 8: 2675-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00474-0
BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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95n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity towards dopamine D2 receptor using radioligand [3H]-quinpirole in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from low affinity antagonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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115n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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246n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D2 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00474-0
BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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246n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D2S receptor


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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246n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned dopamine (hD2s) receptors expressed in CHO cell membranes using [3H]-spiperone


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens)
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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>400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Homo sapiens (human) dopamine D4.4 receptor


Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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>400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratory

Curated by ChEMBL


Assay Description
Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone


Bioorg Med Chem Lett 8: 2675-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00474-0
BindingDB Entry DOI: 10.7270/Q2C53K0X
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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>400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine receptor D4.4 expressed in CHO cells using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50069907
PNG
(1-benzyl-4-(3-hydroxyphenyl)piperazine | 3-(4-Benz...)
Show SMILES Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H20N2O/c20-17-8-4-7-16(13-17)19-11-9-18(10-12-19)14-15-5-2-1-3-6-15/h1-8,13,20H,9-12,14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity towards dopamine D2 receptor using radioligand [3H]-quinpirole in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair