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BDBM50426575 CHEMBL2324347

SMILES: CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=IHYZMEAZAIFMTN-UHFFFAOYSA-N

Data: 5 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 8 hits for monomerid = 50426575   
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
Transient receptor potential cation channel subfamily V member 4 (TRPV4)


(Homo sapiens (Human))
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRPV4 (unknown origin)


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in pres...


ACS Med Chem Lett 8: 549-554 (2017)


BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus)
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in presen...


ACS Med Chem Lett 8: 549-554 (2017)


BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus)
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV4 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem
n/an/a 5.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50426575
PNG
(CHEMBL2324347)
Show SMILES CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in pres...


ACS Med Chem Lett 8: 549-554 (2017)


BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair