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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 4' and Ligand = 'BDBM50545037'   
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))
BDBM50545037
PNG
(CHEMBL4633175)
Show SMILES [H][C@@]12[#8]-[#6](=O)-c3ccccc3-[#7]1-[#6@@H](\[#6]=[#6]\[#6])[C@@]([H])([#6@@H](-[#7]-c1ccccc1-[#6](-[#8])=O)-c1c3-[#8]C([#6])([#6])[#6@@H](-[#8])-[#6](=O)-c3cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1\[#6]=[#6]\[#6]=[#6]\[#6])c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc3-[#6](=O)-[#6@@H](-[#8])C([#6])([#6])[#8]-c3c21 |r|
Show InChI InChI=1S/C58H62N2O10/c1-11-13-14-20-35-33(27-25-31(3)4)29-38-48(61)52(63)57(7,8)69-50(38)44(35)47(59-40-23-17-15-21-36(40)55(65)66)45-42(19-12-2)60-41-24-18-16-22-37(41)56(67)68-54(60)46-43(45)34(28-26-32(5)6)30-39-49(62)53(64)58(9,10)70-51(39)46/h11-26,29-30,42,45,47,52-54,59,63-64H,27-28H2,1-10H3,(H,65,66)/b13-11+,19-12+,20-14+/t42-,45+,47-,52-,53+,54-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127022
BindingDB Entry DOI: 10.7270/Q29G5RC5
More data for this
Ligand-Target Pair