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BDBM50430193 CHEMBL2313119

SMILES: COc1ccc(O)c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=FYBGLYVXXGYEGQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50430193   
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))
BDBM50430193
PNG
(CHEMBL2313119)
Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 755n/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))
BDBM50430193
PNG
(CHEMBL2313119)
Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6NO3/c1-26-11-2-3-13(24)12(7-11)14(25)23-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h2-7,24H,1H3,(H,23,25)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+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