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BDBM46337 1-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-ylmethyl]-1H-benzoimidazole::2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole::2-(benzimidazol-1-ylmethyl)-5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazole::2-(benzimidazol-1-ylmethyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazole::MLS000030897::SMR000001594::cid_646906

SMILES: Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1

InChI Key: InChIKey=WKLPJFOCHXMHHO-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 = 46337   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46337
PNG
(1-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-...)
Show SMILES Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1
Show InChI InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM46337
PNG
(1-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-...)
Show SMILES Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1
Show InChI InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.02E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair