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BDBM49439 2-[(4-chlorobenzyl)thio]-3H-imidazo[4,5-c]pyridine::2-[(4-chlorophenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine::2-[(4-chlorophenyl)methylthio]-3H-imidazo[4,5-c]pyridine::MLS000522716::SMR000127983::cid_9551354

SMILES: Clc1ccc(CSc2nc3ccncc3[nH]2)cc1

InChI Key: InChIKey=LSMGUBAANPNITB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 49439   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49439
PNG
(2-[(4-chlorobenzyl)thio]-3H-imidazo[4,5-c]pyridine...)
Show SMILES Clc1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(H,16,17)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49439
PNG
(2-[(4-chlorobenzyl)thio]-3H-imidazo[4,5-c]pyridine...)
Show SMILES Clc1ccc(CSc2nc3ccncc3[nH]2)cc1
Show InChI InChI=1S/C13H10ClN3S/c14-10-3-1-9(2-4-10)8-18-13-16-11-5-6-15-7-12(11)17-13/h1-7H,8H2,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.94E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair