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BDBM64392 1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridyloxy)phenyl]isonipecotamide::1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide::1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide::1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide::MLS001090782::SMR000653599::cid_24817212

SMILES: COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C

InChI Key: InChIKey=KHTYYLMIFQDGNX-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 64392   
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
Hsf1 protein


(Mus musculus)
BDBM64392
PNG
(1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridylo...)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
Show InChI InChI=1S/C27H31N3O3/c1-19-20(2)26(32-3)11-6-22(19)18-30-15-12-21(13-16-30)27(31)29-23-7-9-24(10-8-23)33-25-5-4-14-28-17-25/h4-11,14,17,21H,12-13,15-16,18H2,1-3H3,(H,29,31)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM64392
PNG
(1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridylo...)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
Show InChI InChI=1S/C27H31N3O3/c1-19-20(2)26(32-3)11-6-22(19)18-30-15-12-21(13-16-30)27(31)29-23-7-9-24(10-8-23)33-25-5-4-14-28-17-25/h4-11,14,17,21H,12-13,15-16,18H2,1-3H3,(H,29,31)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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UniChem
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n/an/an/an/a 8.89E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM64392
PNG
(1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridylo...)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
Show InChI InChI=1S/C27H31N3O3/c1-19-20(2)26(32-3)11-6-22(19)18-30-15-12-21(13-16-30)27(31)29-23-7-9-24(10-8-23)33-25-5-4-14-28-17-25/h4-11,14,17,21H,12-13,15-16,18H2,1-3H3,(H,29,31)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem
PCBioAssay
n/an/a 5.34E+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)
BDBM64392
PNG
(1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridylo...)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
Show InChI InChI=1S/C27H31N3O3/c1-19-20(2)26(32-3)11-6-22(19)18-30-15-12-21(13-16-30)27(31)29-23-7-9-24(10-8-23)33-25-5-4-14-28-17-25/h4-11,14,17,21H,12-13,15-16,18H2,1-3H3,(H,29,31)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.26E+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