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BDBM54401 (1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrimidin-4-yl)amine::5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine::5-methyl-N-[1-(phenylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine::MLS001111222::N-(1-benzylpiperidin-4-yl)-5-methylthieno[2,3-d]pyrimidin-4-amine::SMR000457982::cid_2808819

SMILES: Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12

InChI Key: InChIKey=GYQNXYQGNUDXME-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 = 54401   
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
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM54401
PNG
((1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrim...)
Show SMILES Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H22N4S/c1-14-12-24-19-17(14)18(20-13-21-19)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
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PCBioAssay
n/an/a 2.36E+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 (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM54401
PNG
((1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrim...)
Show SMILES Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H22N4S/c1-14-12-24-19-17(14)18(20-13-21-19)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
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n/an/an/an/a>5.00E+5n/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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54401
PNG
((1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrim...)
Show SMILES Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H22N4S/c1-14-12-24-19-17(14)18(20-13-21-19)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
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n/an/a 1.61E+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 (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54401
PNG
((1-benzyl-4-piperidyl)-(5-methylthieno[2,3-d]pyrim...)
Show SMILES Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C19H22N4S/c1-14-12-24-19-17(14)18(20-13-21-19)22-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,12-13,16H,7-11H2,1H3,(H,20,21,22)
PDB
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n/an/an/an/a 1.92E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair