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BDBM57904 5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-yl-pyrimidine::5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine::5-methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-(2-pyridinyl)pyrimidine::5-methoxy-4-[(2-methoxyphenyl)thio]-2-(2-pyridinyl)pyrimidine::5-methoxy-4-[(2-methoxyphenyl)thio]-2-(2-pyridyl)pyrimidine::MLS000692218::SMR000333892::cid_1470741

SMILES: COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1

InChI Key: InChIKey=RULBLZKSANQWSB-UHFFFAOYSA-N

Data: 2 IC50  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 3 hits for monomerid = 57904   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57904
PNG
(5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-...)
Show SMILES COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1
Show InChI InChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM57904
PNG
(5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-...)
Show SMILES COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1
Show InChI InChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.68E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM57904
PNG
(5-methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-...)
Show SMILES COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1
Show InChI InChI=1S/C17H15N3O2S/c1-21-13-8-3-4-9-15(13)23-17-14(22-2)11-19-16(20-17)12-7-5-6-10-18-12/h3-11H,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.52E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair