BindingDB logo
myBDB logout

BDBM50187381 CHEMBL209324::N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide

SMILES: COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1

InChI Key: InChIKey=YMFRPPUSWRHMPF-UHFFFAOYSA-N

Data: 7 KI  2 IC50  1 EC50

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 10 hits for monomerid = 50187381   
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 1A


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Rattus norvegicus (rat))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from Adrenergic alpha-2a receptor in rat cerebral cortex cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT transporter by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
490n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT1A receptor by Gi-[35S]GTPgammaS binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair