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BDBM50007534 3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide::3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide::A 35043::CHEMBL283099

SMILES: CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC

InChI Key: InChIKey=PWEZBNRZEHPIIQ-JTQLQIEISA-N

Data: 13 KI  8 IC50

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 21 hits for monomerid = 50007534   
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))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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0.550n/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))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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8n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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3.22E+3n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Astra Läkemedel AB

Curated by PDSP Ki Database




Acta Pharmacol Toxicol (Copenh) 58: 61-70 (1986)


BindingDB Entry DOI: 10.7270/Q2PG1Q7V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane


J Med Chem 28: 1263-9 (1985)


Article DOI: 10.1021/jm00147a025
BindingDB Entry DOI: 10.7270/Q2QZ2BHD
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vivo inhibitory activity of the compound against dopamine (D2) receptor in rat caudate-putamen tissue


Bioorg Med Chem Lett 13: 4015-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.063
BindingDB Entry DOI: 10.7270/Q27M07BC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2


J Med Chem 36: 3417-23 (1993)


Article DOI: 10.1021/jm00074a023
BindingDB Entry DOI: 10.7270/Q2S75GZD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 10n/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))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/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))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane


J Med Chem 28: 1263-9 (1985)


Article DOI: 10.1021/jm00147a025
BindingDB Entry DOI: 10.7270/Q2QZ2BHD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007534
PNG
(3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hy...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
Show InChI InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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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