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BDBM89413 5-(5-isoquinolinyloxymethyl)-N-methyl-N-(2-thiazolylmethyl)-3-isoxazolecarboxamide::5-(5-isoquinolyloxymethyl)-N-methyl-N-(thiazol-2-ylmethyl)isoxazole-3-carboxamide::5-(isoquinolin-5-yloxymethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2-oxazole-3-carboxamide::MLS001101358::SMR000654990::cid_24817446

SMILES: CN(Cc1nccs1)C(=O)c1cc(COc2cccc3cnccc23)on1

InChI Key: InChIKey=RAJLNLDXWIHBSS-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 = 89413   
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
Protein Wnt-3a


(Mus musculus)
BDBM89413
PNG
(5-(5-isoquinolinyloxymethyl)-N-methyl-N-(2-thiazol...)
Show SMILES CN(Cc1nccs1)C(=O)c1cc(COc2cccc3cnccc23)on1
Show InChI InChI=1S/C19H16N4O3S/c1-23(11-18-21-7-8-27-18)19(24)16-9-14(26-22-16)12-25-17-4-2-3-13-10-20-6-5-15(13)17/h2-10H,11-12H2,1H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89413
PNG
(5-(5-isoquinolinyloxymethyl)-N-methyl-N-(2-thiazol...)
Show SMILES CN(Cc1nccs1)C(=O)c1cc(COc2cccc3cnccc23)on1
Show InChI InChI=1S/C19H16N4O3S/c1-23(11-18-21-7-8-27-18)19(24)16-9-14(26-22-16)12-25-17-4-2-3-13-10-20-6-5-15(13)17/h2-10H,11-12H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.20E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair