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BDBM85610 (R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine

SMILES: [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1

InChI Key: InChIKey=JBIWUVRCMUOUNK-QGZVFWFLSA-N

Data: 13 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 13 hits for monomerid = 85610   
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))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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2.51E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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5.01E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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5.01E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
PDB
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5.01E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


Article DOI: 10.1021/jm991151j
BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair