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BDBM42884 2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide::2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide::2-[(3-benzylimidazo[4,5-b]pyridin-2-yl)thio]-N-(2-furfuryl)acetamide::MLS000031836::N-(2-furanylmethyl)-2-[[3-(phenylmethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetamide::N-(furan-2-ylmethyl)-2-[3-(phenylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-ethanamide::SMR000005785::cid_646123

SMILES: O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1

InChI Key: InChIKey=GNUCOEDJPTVHKP-UHFFFAOYSA-N

Data: 3 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 = 42884   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42884
PNG
(2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)...)
Show SMILES O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
Show InChI InChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.94E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42884
PNG
(2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)...)
Show SMILES O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
Show InChI InChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.94E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42884
PNG
(2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)...)
Show SMILES O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
Show InChI InChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.94E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair