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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 = 'BDBM452584'   
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))
BDBM452584
PNG
(2-amino-3-((3-((3R,5R)- 5-(4-chlorophenyl) tetrahy...)
Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H17ClN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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))
BDBM452584
PNG
(2-amino-3-((3-((3R,5R)- 5-(4-chlorophenyl) tetrahy...)
Show SMILES Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H17ClN6O3/c21-13-5-3-11(4-6-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-2-1-7-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.29n/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