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BDBM50130278 (R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrrolidin-2-yl)-ethyl)-piperidine(10)::(R)-4-Methyl-1-{2-[1-(naphthalene-1-sulfonyl)-pyrrolidin-2-yl]-ethyl}-piperidine::4-Methyl-1-{2-[(R)-1-(naphthalene-1-sulfonyl)-pyrrolidin-2-yl]-ethyl}-piperidine::CHEMBL94984

SMILES: CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1

InChI Key: InChIKey=VCFMMDVFGUQTHR-HXUWFJFHSA-N

Data: 14 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 14 hits for monomerid = 50130278   
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))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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10n/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


(Rattus norvegicus (rat))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/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))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/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 2C


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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1.26E+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))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
PDB
MMDB

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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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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2.00E+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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/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 1B


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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3.98E+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))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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>1.00E+4n/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))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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>1.00E+4n/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