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SMILES: CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1

InChI Key: InChIKey=BNHBWNCPVUXJFN-UHFFFAOYSA-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 = 49190   
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
Tumor necrosis factor receptor superfamily member 10B


(Homo sapiens (Human))
BDBM49190
PNG
((3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic ac...)
Show SMILES CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-12-5-4-10-6-11(8-16)15(17-13(10)7-12)21-9-14(18)19-2/h4-7H,3,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM49190
PNG
((3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic ac...)
Show SMILES CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-12-5-4-10-6-11(8-16)15(17-13(10)7-12)21-9-14(18)19-2/h4-7H,3,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.45E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair