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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 4' and Ligand = 'BDBM50256210'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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


(Homo sapiens (Human))
BDBM50256210
PNG
(CHEMBL4080527)
Show SMILES Cc1cc(-c2csc(Nc3ccc(cn3)C(=O)N3C4CCC3CN(C4)c3ncc(cn3)C(F)(F)F)n2)n(C)n1
Show InChI InChI=1S/C25H24F3N9OS/c1-14-7-20(35(2)34-14)19-13-39-24(32-19)33-21-6-3-15(8-29-21)22(38)37-17-4-5-18(37)12-36(11-17)23-30-9-16(10-31-23)25(26,27)28/h3,6-10,13,17-18H,4-5,11-12H2,1-2H3,(H,29,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins ...


Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50256210
PNG
(CHEMBL4080527)
Show SMILES Cc1cc(-c2csc(Nc3ccc(cn3)C(=O)N3C4CCC3CN(C4)c3ncc(cn3)C(F)(F)F)n2)n(C)n1
Show InChI InChI=1S/C25H24F3N9OS/c1-14-7-20(35(2)34-14)19-13-39-24(32-19)33-21-6-3-15(8-29-21)22(38)37-17-4-5-18(37)12-36(11-17)23-30-9-16(10-31-23)25(26,27)28/h3,6-10,13,17-18H,4-5,11-12H2,1-2H3,(H,29,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins fo...


Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
BindingDB Entry DOI: 10.7270/Q2N58PT9
More data for this
Ligand-Target Pair