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BDBM42635 2-(2-quinolinylthio)propanoic acid::2-(2-quinolylthio)propionic acid::2-quinolin-2-ylsulfanylpropanoic acid::MLS000036607::SMR000042099::cid_661441

SMILES: CC(Sc1ccc2ccccc2n1)C(O)=O

InChI Key: InChIKey=JLYPYACZXPBHLU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 42635   
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))
BDBM42635
PNG
(2-(2-quinolinylthio)propanoic acid | 2-(2-quinolyl...)
Show SMILES CC(Sc1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.56E+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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42635
PNG
(2-(2-quinolinylthio)propanoic acid | 2-(2-quinolyl...)
Show SMILES CC(Sc1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair