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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 = 'BDBM452589'   
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))
BDBM452589
PNG
(3-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- fura...)
Show SMILES Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Show InChI InChI=1S/C21H18FN5O3/c1-12-7-23-8-16-19(12)21(28)27(11-24-16)9-18-25-20(26-30-18)14-6-17(29-10-14)13-2-4-15(22)5-3-13/h2-5,7-8,11,14,17H,6,9-10H2,1H3/t14-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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))
BDBM452589
PNG
(3-((3-((3R,5R)-5-(4- fluorophenyl)tetrahydro- fura...)
Show SMILES Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Show InChI InChI=1S/C21H18FN5O3/c1-12-7-23-8-16-19(12)21(28)27(11-24-16)9-18-25-20(26-30-18)14-6-17(29-10-14)13-2-4-15(22)5-3-13/h2-5,7-8,11,14,17H,6,9-10H2,1H3/t14-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.7n/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