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SMILES: C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 = 50573115   
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


(Rattus norvegicus)
BDBM50573115
PNG
(CHEMBL4865238)
Show SMILES C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat TRPA1


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00305
BindingDB Entry DOI: 10.7270/Q21J9FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50573115
PNG
(CHEMBL4865238)
Show SMILES C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPA1 expressed in CHO cells measured by calcium based FLIPR assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00305
BindingDB Entry DOI: 10.7270/Q21J9FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)