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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 = 'BDBM50522021'   
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


(Rattus norvegicus)
BDBM50522021
PNG
(CHEMBL4465116)
Show SMILES Cl.Cl.Cc1nn(cc1C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1)-c1ccc(F)cn1
Show InChI InChI=1S/C24H29FN6OS/c1-16-19(15-31(29-16)21-9-8-18(25)14-26-21)23(32)28-24-27-22(17-6-5-7-17)20(33-24)10-13-30-11-3-2-4-12-30/h8-9,14-15,17H,2-7,10-13H2,1H3,(H,27,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.730n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV4 expressed in HEK293 cells assessed as reduction in Ca2+ influx incubated for 30 mins by Fluo4-AM dye based


Bioorg Med Chem 27: 3775-3787 (2019)


Article DOI: 10.1016/j.bmc.2019.05.041
BindingDB Entry DOI: 10.7270/Q2KK9G6N
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50522021
PNG
(CHEMBL4465116)
Show SMILES Cl.Cl.Cc1nn(cc1C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1)-c1ccc(F)cn1
Show InChI InChI=1S/C24H29FN6OS/c1-16-19(15-31(29-16)21-9-8-18(25)14-26-21)23(32)28-24-27-22(17-6-5-7-17)20(33-24)10-13-30-11-3-2-4-12-30/h8-9,14-15,17H,2-7,10-13H2,1H3,(H,27,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in HEK293 cells assessed as reduction in Ca2+ influx incubated for 30 mins by Fluo4-AM dye based


Bioorg Med Chem 27: 3775-3787 (2019)


Article DOI: 10.1016/j.bmc.2019.05.041
BindingDB Entry DOI: 10.7270/Q2KK9G6N
More data for this
Ligand-Target Pair