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2 similar compounds to monomer 81796

Compile data set for download or QSAR
Wt: 354.4
BDBM86720
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Wt: 354.4
BDBM50019957
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 86720,50019957   
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))
BDBM86720
PNG
(CAS_53583-79-2 | NSC_5357 | Sultopride)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
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PubMed
1.60n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



St, Marianna University School of Medicine

Curated by PDSP Ki Database




Brain Res 402: 331-8 (1987)


Article DOI: 10.1016/0006-8993(87)90040-0
BindingDB Entry DOI: 10.7270/Q2T43RMR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86720
PNG
(CAS_53583-79-2 | NSC_5357 | Sultopride)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
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3.80n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86720
PNG
(CAS_53583-79-2 | NSC_5357 | Sultopride)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
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4.5n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)


Article DOI: 10.1124/jpet.105.092155
BindingDB Entry DOI: 10.7270/Q2Z60MNB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86720
PNG
(CAS_53583-79-2 | NSC_5357 | Sultopride)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.


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


(Homo sapiens (Human))
BDBM86720
PNG
(CAS_53583-79-2 | NSC_5357 | Sultopride)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Dopamine receptor D2 expressed in CHO cells by [125I]iodosulpiride displacement.


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
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PubMed
9.30n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50019957
PNG
(5-Ethanesulfonyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat


J Med Chem 30: 2099-104 (1987)


Article DOI: 10.1021/jm00394a028
BindingDB Entry DOI: 10.7270/Q2W959R8
More data for this
Ligand-Target Pair