BindingDB logo
myBDB logout

null

SMILES: Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)oc1=O

InChI Key: InChIKey=GFRTYOMOOHPBGT-WCQYABFASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452675   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM452675
PNG
(1-methyl-6-[[3-[rac- (3R,5R)-5-(4- chlorophenyl)te...)
Show SMILES Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)oc1=O |r|
Show InChI InChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM452675
PNG
(1-methyl-6-[[3-[rac- (3R,5R)-5-(4- chlorophenyl)te...)
Show SMILES Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)oc1=O |r|
Show InChI InChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.35n/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)

More data for this
Ligand-Target Pair