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BDBM89429 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-methylcyclohexyl)propionamide::MLS001070901::N-(2-methylcyclohexyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide::N-(2-methylcyclohexyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide::N-(2-methylcyclohexyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide::SMR000716086::cid_24978826

SMILES: CC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC1CCCCC1C

InChI Key: InChIKey=KLESNENNFKQDSG-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 89429   
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)
BDBM89429
PNG
(2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-met...)
Show SMILES CC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC1CCCCC1C
Show InChI InChI=1S/C19H25N3O2S/c1-12-8-4-6-10-15(12)20-17(23)13(2)25-19-21-16-11-7-5-9-14(16)18(24)22(19)3/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,20,23)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.15E+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)
BDBM89429
PNG
(2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-met...)
Show SMILES CC(Sc1nc2ccccc2c(=O)n1C)C(=O)NC1CCCCC1C
Show InChI InChI=1S/C19H25N3O2S/c1-12-8-4-6-10-15(12)20-17(23)13(2)25-19-21-16-11-7-5-9-14(16)18(24)22(19)3/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,20,23)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.15E+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)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair