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BDBM50216039 1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-indolin-2-one::1-[4-(4-Phenylpiperazin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one::CHEMBL395933

SMILES: O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1

InChI Key: InChIKey=LNEVPGGCVOGZMM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50216039   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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Article
PubMed
74n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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80n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human Dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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124n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
PDB

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153n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calci...


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
PDB

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Article
PubMed
162n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expressed in HEK293 cells


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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PubMed
313n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK293


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
UniProtKB/SwissProt

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



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at human Dopamine D5 receptor in HEK293 cells assessed as change in SKF 38393-induced intracellular calcium response


Bioorg Med Chem 15: 5811-8 (2007)


Article DOI: 10.1016/j.bmc.2007.06.002
BindingDB Entry DOI: 10.7270/Q27M07MZ
More data for this
Ligand-Target Pair