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BDBM452634 1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- furan-3-yl)-1,2,4- oxadiazol-5-yl)methyl)- 1H-imidazo[4,5-b] pyrazin-2-amine::US10710994, Example 112

SMILES: Nc1nc2nccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1

InChI Key: InChIKey=OOABNTZYAYDDFY-WCQYABFASA-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 = 452634   
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))
BDBM452634
PNG
(1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...)
Show SMILES Nc1nc2nccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H16ClN7O2/c19-12-3-1-10(2-4-12)13-7-11(9-27-13)15-23-14(28-25-15)8-26-17-16(24-18(26)20)21-5-6-22-17/h1-6,11,13H,7-9H2,(H2,20,21,24)/t11-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/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))
BDBM452634
PNG
(1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...)
Show SMILES Nc1nc2nccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H16ClN7O2/c19-12-3-1-10(2-4-12)13-7-11(9-27-13)15-23-14(28-25-15)8-26-17-16(24-18(26)20)21-5-6-22-17/h1-6,11,13H,7-9H2,(H2,20,21,24)/t11-,13+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.8n/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