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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 A member 1' and Ligand = 'BDBM452555'   
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 A member 1


(Homo sapiens (Human))
BDBM452555
PNG
(7-methyl-1-((3- ((3R,5R)-5-(naphthalen- 2-yl)tetra...)
Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r|
Show InChI InChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...


US Patent US10710994 (2020)


BindingDB Entry DOI: 10.7270/Q251429W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM452555
PNG
(7-methyl-1-((3- ((3R,5R)-5-(naphthalen- 2-yl)tetra...)
Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r|
Show InChI InChI=1S/C23H20N6O3/c1-28-12-24-22-20(28)23(30)29(13-25-22)10-19-26-21(27-32-19)17-9-18(31-11-17)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.09n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...


US Patent US10710994 (2020)


BindingDB Entry DOI: 10.7270/Q251429W
More data for this
Ligand-Target Pair