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BDBM114306 (2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester::2-[(2-ethyl-4-quinazolinyl)thio]acetic acid ethyl ester::2-[(2-ethylquinazolin-4-yl)thio]acetic acid ethyl ester::MLS000072840::SMR000003743::cid_654420::ethyl 2-(2-ethylquinazolin-4-yl)sulfanylacetate::ethyl 2-(2-ethylquinazolin-4-yl)sulfanylethanoate

SMILES: CCOC(=O)CSc1nc(CC)nc2ccccc12

InChI Key: InChIKey=GYWWQCMUVOLXSR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 114306   
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
Prion protein


(Homo sapiens (Human))
BDBM114306
PNG
((2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethy...)
Show SMILES CCOC(=O)CSc1nc(CC)nc2ccccc12
Show InChI InChI=1S/C14H16N2O2S/c1-3-12-15-11-8-6-5-7-10(11)14(16-12)19-9-13(17)18-4-2/h5-8H,3-4,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PCBioAssay
n/an/a 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair