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BDBM34154 CHEMBL515307::indenylsulfonamide, 15

SMILES: CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12

InChI Key: InChIKey=YSMNKAMHMGKRDL-UHFFFAOYSA-N

Data: 2 KI  4 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 7 hits for monomerid = 34154   
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 6


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
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Article
PubMed
10 -11.3n/an/an/an/an/a7.437



Universitat de Barcelona



Assay Description
Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concent...


Bioorg Med Chem 17: 7387-97 (2009)


Article DOI: 10.1016/j.bmc.2009.08.006
BindingDB Entry DOI: 10.7270/Q2RR1WKS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT2C receptor


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
PDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human SERT


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of ra...


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human adrenergic alpha2A receptor


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM34154
PNG
(CHEMBL515307 | indenylsulfonamide, 15)
Show SMILES CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
Show InChI InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A receptor


J Med Chem 52: 675-87 (2009)


Article DOI: 10.1021/jm8009469
BindingDB Entry DOI: 10.7270/Q2SN09V7
More data for this
Ligand-Target Pair