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BDBM50262684 CHEMBL514232::N-(1,1'-biphenyl-2-ylmethyl)-N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]sulfamide

SMILES: CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1

InChI Key: InChIKey=WSUKOKAEFHVCAH-SFHVURJKSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50262684   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262684
PNG
(CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...)
Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50262684
PNG
(CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...)
Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.69E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262684
PNG
(CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...)
Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.33E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50262684
PNG
(CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...)
Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair