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BDBM89352 (2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide::(2S,4R)-4-cyclohexyl-2-(4-oxidanylbutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide::MLS000766524::SMR000441990::cid_16197098

SMILES: OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1

InChI Key: InChIKey=NKNQWGRORJPXNZ-NQIIRXRSSA-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 = 89352   
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)
BDBM89352
PNG
((2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-N-phenyl-...)
Show SMILES OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1 |c:9|
Show InChI InChI=1S/C22H31NO4/c24-13-7-8-14-26-21-16-18(17-9-3-1-4-10-17)15-20(27-21)22(25)23-19-11-5-2-6-12-19/h2,5-6,11-12,15,17-18,21,24H,1,3-4,7-10,13-14,16H2,(H,23,25)/t18-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.77E+4n/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)
BDBM89352
PNG
((2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-N-phenyl-...)
Show SMILES OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1 |c:9|
Show InChI InChI=1S/C22H31NO4/c24-13-7-8-14-26-21-16-18(17-9-3-1-4-10-17)15-20(27-21)22(25)23-19-11-5-2-6-12-19/h2,5-6,11-12,15,17-18,21,24H,1,3-4,7-10,13-14,16H2,(H,23,25)/t18-,21+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.96E+3n/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