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BDBM114384 2-[(2-phenyl-4-quinazolinyl)thio]propanoic acid ethyl ester::2-[(2-phenylquinazolin-4-yl)thio]propionic acid ethyl ester::MLS000687054::SMR000284159::cid_3167727::ethyl 2-(2-phenylquinazolin-4-yl)sulfanylpropanoate

SMILES: CCOC(=O)C(C)Sc1nc(nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=QKVPTJMGYXIZKW-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 = 114384   
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))
BDBM114384
PNG
(2-[(2-phenyl-4-quinazolinyl)thio]propanoic acid et...)
Show SMILES CCOC(=O)C(C)Sc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-3-23-19(22)13(2)24-18-15-11-7-8-12-16(15)20-17(21-18)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.84E+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