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BDBM50117648 CHEMBL3613626

SMILES: CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1

InChI Key: InChIKey=HRZAGAILOLRXSQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50117648   
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))
BDBM50117648
PNG
(CHEMBL3613626)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.93E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117648
PNG
(CHEMBL3613626)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.49E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair