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BDBM64845 4-(2-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-yl-pyrimidine::4-(2-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine::4-[(2-chlorophenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether::4-[(2-chlorophenyl)thio]-5-methoxy-2-(2-pyridinyl)pyrimidine::4-[(2-chlorophenyl)thio]-5-methoxy-2-(2-pyridyl)pyrimidine::MLS000325801::SMR000169708::cid_5152307

SMILES: COc1cnc(nc1Sc1ccccc1Cl)-c1ccccn1

InChI Key: InChIKey=CVUFZOYMERKZRC-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 = 64845   
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
BZLF1


(Human herpesvirus 4)
BDBM64845
PNG
(4-(2-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-y...)
Show SMILES COc1cnc(nc1Sc1ccccc1Cl)-c1ccccn1
Show InChI InChI=1S/C16H12ClN3OS/c1-21-13-10-19-15(12-7-4-5-9-18-12)20-16(13)22-14-8-3-2-6-11(14)17/h2-10H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.91E+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))
BDBM64845
PNG
(4-(2-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-y...)
Show SMILES COc1cnc(nc1Sc1ccccc1Cl)-c1ccccn1
Show InChI InChI=1S/C16H12ClN3OS/c1-21-13-10-19-15(12-7-4-5-9-18-12)20-16(13)22-14-8-3-2-6-11(14)17/h2-10H,1H3
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 7.80E+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