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SMILES: Nc1ccc2c(cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1

InChI Key: InChIKey=OMCPTRKQFMHMFO-BLLLJJGKSA-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 = 452609   
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))
BDBM452609
PNG
(2-amino-6-((3-((3R,5R)- 5-(4-chlorophenyl)tetra- h...)
Show SMILES Nc1ccc2c(cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1 |r|
Show InChI InChI=1S/C20H17ClN6O3/c21-13-3-1-11(2-4-13)16-7-12(10-29-16)19-25-18(30-26-19)9-27-20(28)14-5-6-17(22)24-15(14)8-23-27/h1-6,8,12,16H,7,9-10H2,(H2,22,24)/t12-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/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))
BDBM452609
PNG
(2-amino-6-((3-((3R,5R)- 5-(4-chlorophenyl)tetra- h...)
Show SMILES Nc1ccc2c(cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1 |r|
Show InChI InChI=1S/C20H17ClN6O3/c21-13-3-1-11(2-4-13)16-7-12(10-29-16)19-25-18(30-26-19)9-27-20(28)14-5-6-17(22)24-15(14)8-23-27/h1-6,8,12,16H,7,9-10H2,(H2,22,24)/t12-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.5n/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