BindingDB logo
myBDB logout

BDBM50252660 Benzyl 1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate::CHEMBL493450

SMILES: Fc1cc2c(c(F)c1F)n(cc(C(=O)OCc1ccccc1)c2=O)-c1c(F)c(F)c(C#N)c(F)c1F

InChI Key: InChIKey=RHAHUACACWLHCL-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50252660   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252660
PNG
(Benzyl 1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8...)
Show SMILES Fc1cc2c(c(F)c1F)n(cc(C(=O)OCc1ccccc1)c2=O)-c1c(F)c(F)c(C#N)c(F)c1F |(-10.27,-12.39,;-8.94,-13.16,;-7.61,-12.39,;-6.28,-13.15,;-6.27,-14.71,;-7.61,-15.48,;-7.61,-17.02,;-8.94,-14.7,;-10.28,-15.47,;-4.93,-15.48,;-3.58,-14.7,;-3.59,-13.14,;-2.26,-12.37,;-2.26,-10.83,;-.92,-13.13,;.41,-12.36,;1.75,-13.13,;1.74,-14.66,;3.08,-15.43,;4.41,-14.65,;4.4,-13.11,;3.06,-12.35,;-4.94,-12.37,;-4.95,-10.83,;-4.92,-17.01,;-3.59,-17.77,;-2.26,-16.99,;-3.58,-19.31,;-2.24,-20.07,;-4.91,-20.09,;-4.91,-21.63,;-4.92,-23.16,;-6.25,-19.32,;-7.58,-20.09,;-6.25,-17.78,;-7.6,-18.54,)|
Show InChI InChI=1S/C24H9F7N2O3/c25-14-6-11-21(20(31)17(14)28)33(22-18(29)15(26)12(7-32)16(27)19(22)30)8-13(23(11)34)24(35)36-9-10-4-2-1-3-5-10/h1-6,8H,9H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair