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BDBM64833 2-(6-chloranylpyridin-3-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole::2-(6-chloro-3-pyridinyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole::2-(6-chloro-3-pyridyl)-5-(4-isobutoxyphenyl)-1,3,4-oxadiazole::2-(6-chloropyridin-3-yl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole::MLS-0435441.0001::cid_2526596

SMILES: CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1

InChI Key: InChIKey=IOZZAXVJNUWRSC-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 = 64833   
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
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM64833
PNG
(2-(6-chloranylpyridin-3-yl)-5-[4-(2-methylpropoxy)...)
Show SMILES CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64833
PNG
(2-(6-chloranylpyridin-3-yl)-5-[4-(2-methylpropoxy)...)
Show SMILES CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C17H16ClN3O2/c1-11(2)10-22-14-6-3-12(4-7-14)16-20-21-17(23-16)13-5-8-15(18)19-9-13/h3-9,11H,10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair