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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50026045'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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Article
PubMed
16n/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))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Neuropsychopharmacology 16: 93 (1997)


Article DOI: 10.1016/S0893-133X(96)00187-X
BindingDB Entry DOI: 10.7270/Q2513WR8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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105n/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))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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125n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by PDSP Ki Database




Neuropsychopharmacology 18: 63-101 (1998)


Article DOI: 10.1016/S0893-133X(97)00112-7
BindingDB Entry DOI: 10.7270/Q2SF2TQB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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125n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by PDSP Ki Database




Neuropsychopharmacology 18: 63-101 (1998)


Article DOI: 10.1016/S0893-133X(97)00112-7
BindingDB Entry DOI: 10.7270/Q2SF2TQB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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198n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Arzneimittelforschung 42: 224-30 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4VK6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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>217n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against cloned mammalian dopamine autoreceptor (DA) D2 receptors expressed in CHO-K1 cells using [3H]spiperone as raidoligand


J Med Chem 37: 2735-53 (1994)


Article DOI: 10.1021/jm00043a013
BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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n/an/a 1.20n/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))
BDBM50026045
PNG
((R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Show InChI InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
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PubMed
n/an/a 880n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


Article DOI: 10.1021/jm990562x
BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair