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SMILES: Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1

InChI Key: InChIKey=LIDOOAJDRNFUAK-UHFFFAOYSA-N

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 5 hits for monomerid = 68139   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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n/an/a 260n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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n/an/a 260n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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n/an/a>5.00E+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)
BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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n/an/a>2.00E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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antibodypedia
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n/an/a 6.03E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair