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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 = 'BDBM50256209'   
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))
BDBM50256209
PNG
(CHEMBL4101768)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1S/C25H23F3N8O2S2/c1-13-21(40-14(2)32-13)19-12-39-24(33-19)34-20-4-3-15(5-29-20)22(37)36-17-8-35(9-18(36)11-38-10-17)23-30-6-16(7-31-23)25(26,27)28/h3-7,12,17-18H,8-11H2,1-2H3,(H,29,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 0.190n/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)
BDBM50256209
PNG
(CHEMBL4101768)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1S/C25H23F3N8O2S2/c1-13-21(40-14(2)32-13)19-12-39-24(33-19)34-20-4-3-15(5-29-20)22(37)36-17-8-35(9-18(36)11-38-10-17)23-30-6-16(7-31-23)25(26,27)28/h3-7,12,17-18H,8-11H2,1-2H3,(H,29,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.40n/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