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BDBM50247262 3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-tolyl-1,2,4-oxadiazole::CHEMBL473315::cid_664499

SMILES: COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1

InChI Key: InChIKey=NIYQMYRMPIYCDM-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 50247262   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50247262
PNG
(3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1
Show InChI InChI=1S/C22H19N3O3/c1-14-6-4-5-7-17(14)22-24-20(25-28-22)18-12-13-19(23-21(18)27-3)15-8-10-16(26-2)11-9-15/h4-13H,1-3H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50247262
PNG
(3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1
Show InChI InChI=1S/C22H19N3O3/c1-14-6-4-5-7-17(14)22-24-20(25-28-22)18-12-13-19(23-21(18)27-3)15-8-10-16(26-2)11-9-15/h4-13H,1-3H3
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Florida Atlantic University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 expressed in Escherichia coli


Bioorg Med Chem 17: 990-1005 (2009)


Article DOI: 10.1016/j.bmc.2008.03.004
BindingDB Entry DOI: 10.7270/Q2GB24ZC
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM50247262
PNG
(3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1
Show InChI InChI=1S/C22H19N3O3/c1-14-6-4-5-7-17(14)22-24-20(25-28-22)18-12-13-19(23-21(18)27-3)15-8-10-16(26-2)11-9-15/h4-13H,1-3H3
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PCBioAssay
n/an/an/an/a 5.90E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair