BindingDB logo
myBDB logout

BDBM452671 2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 7- (trifluoromethyl)imidazo [5,1-f][1,2,4]triazin- 4(3H)-one::US10710994, Example 149

SMILES: Nc1nn2c(ncc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=KDXRBPDHOHGHLI-GXFFZTMASA-N

Data: 2 IC50

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 = 452671   
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))
BDBM452671
PNG
(2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...)
Show SMILES Nc1nn2c(ncc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H15ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13H,5,7-8H2,(H2,24,27)/t10-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM452671
PNG
(2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...)
Show SMILES Nc1nn2c(ncc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H15ClF3N7O3/c20-11-3-1-9(2-4-11)13-5-10(8-32-13)15-26-14(33-28-15)7-29-16(31)12-6-25-17(19(21,22)23)30(12)27-18(29)24/h1-4,6,10,13H,5,7-8H2,(H2,24,27)/t10-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.48n/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