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BDBM50430192 CHEMBL2313122

SMILES: Oc1ccc(cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=UAYXSRUWKFPICX-UHFFFAOYSA-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 = 50430192   
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
P2X purinoceptor 1


(Homo sapiens (Human))
BDBM50430192
PNG
(CHEMBL2313122)
Show SMILES Oc1ccc(cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C15H8F6N2O4/c16-14(17,18)7-3-8(15(19,20)21)5-9(4-7)22-13(25)11-6-10(23(26)27)1-2-12(11)24/h1-6,24H,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.53E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induc...


J Med Chem 63: 6164-6178 (2020)

More data for this
Ligand-Target Pair
Transmembrane protease serine 4


(Homo sapiens (Human))
BDBM50430192
PNG
(CHEMBL2313122)
Show SMILES Oc1ccc(cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C15H8F6N2O4/c16-14(17,18)7-3-8(15(19,20)21)5-9(4-7)22-13(25)11-6-10(23(26)27)1-2-12(11)24/h1-6,24H,(H,22,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused with enterokinase cleavage sequence DYKDDDGDYKDDDDK expressed in Esch...


Bioorg Med Chem Lett 23: 1748-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.055
BindingDB Entry DOI: 10.7270/Q2057H8S
More data for this
Ligand-Target Pair