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24 molecules are shown

Compile data set for download or QSAR
Wt: 371.2
BDBM50452879
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Wt: 399.2
BDBM50368061
Wt: 387.2
BDBM50368062
Wt: 399.2
BDBM50368063
Wt: 401.2
BDBM50368066
Wt: 387.2
BDBM50368072
Wt: 387.2
BDBM50368073
Wt: 357.2
BDBM50417328
Wt: 387.2
BDBM50417307
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50452879,50368061,50368062,50368063,50368066,50368072,50368073,50417328,50417307   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368062
PNG
(CHEMBL1907915)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368073
PNG
(CHEMBL1907690)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)12(22-2)8-11(17)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368063
PNG
(CHEMBL1907700)
Show SMILES COc1cc(Br)c(O)c(C(=O)NC[C@@H]2CCCN2CC=C)c1OC
Show InChI InChI=1S/C17H23BrN2O4/c1-4-7-20-8-5-6-11(20)10-19-17(22)14-15(21)12(18)9-13(23-2)16(14)24-3/h4,9,11,21H,1,5-8,10H2,2-3H3,(H,19,22)/t11-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50368062
PNG
(CHEMBL1907915)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1c(O)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)11(17)8-12(22-2)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368072
PNG
(CHEMBL1907914)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)12(22-2)8-11(17)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m1/s1
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n/an/a 6.17E+3n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50417328
PNG
(CHEMBL1276459)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(O)c1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-6-4-5-11(18)9-17-15(20)12-7-10(16)8-13(19)14(12)21-2/h7-8,11,19H,3-6,9H2,1-2H3,(H,17,20)/t11-/m0/s1
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n/an/a 8.32n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Eur J Med Chem 45: 4856-62 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.056
BindingDB Entry DOI: 10.7270/Q2833T8S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50417307
PNG
(CHEMBL1276494)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(22-2)11(17)8-12(20)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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n/an/a 1.41n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Eur J Med Chem 45: 4856-62 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.056
BindingDB Entry DOI: 10.7270/Q2833T8S
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50368073
PNG
(CHEMBL1907690)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(OC)cc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O4/c1-4-19-7-5-6-10(19)9-18-16(21)13-14(20)12(22-2)8-11(17)15(13)23-3/h8,10,20H,4-7,9H2,1-3H3,(H,18,21)/t10-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368061
PNG
(CHEMBL1907694)
Show SMILES COc1cc(Br)c(OC)c(C(=O)NC[C@@H]2CCCN2CC=C)c1O
Show InChI InChI=1S/C17H23BrN2O4/c1-4-7-20-8-5-6-11(20)10-19-17(22)14-15(21)13(23-2)9-12(18)16(14)24-3/h4,9,11,21H,1,5-8,10H2,2-3H3,(H,19,22)/t11-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452879
PNG
(CHEMBL2114141)
Show SMILES CCN1CCC[C@@H]1CNC(=O)c1cc(Br)cc(OC)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.


J Med Chem 33: 2305-9 (1990)


Article DOI: 10.1021/jm00170a040
BindingDB Entry DOI: 10.7270/Q29P30MH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50368066
PNG
(CHEMBL1907699)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Br)cc(OC)c1OC
Show InChI InChI=1S/C17H25BrN2O4/c1-5-20-8-6-7-11(20)10-19-17(21)14-15(23-3)12(18)9-13(22-2)16(14)24-4/h9,11H,5-8,10H2,1-4H3,(H,19,21)/t11-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.


J Med Chem 33: 1155-63 (1990)


Article DOI: 10.1021/jm00166a012
BindingDB Entry DOI: 10.7270/Q24X58DR
More data for this
Ligand-Target Pair