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BDBM88760 (4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]methanethione::(4-benzylpiperazino)-[4-(dimethylamino)phenyl]methanethione::4-[(4-benzyl-1-piperazinyl)carbonothioyl]-N,N-dimethylaniline::MLS000679877::SMR000296756::[4-(dimethylamino)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione::[4-(dimethylamino)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione::cid_2237734

SMILES: CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=IHGWBNGPQYGHMF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 88760   
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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88760
PNG
((4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.36E+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/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88760
PNG
((4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 937n/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/Q2959G44
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88760
PNG
((4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 4.56E+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/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88760
PNG
((4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.69E+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/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88760
PNG
((4-benzylpiperazin-1-yl)-[4-(dimethylamino)phenyl]...)
Show SMILES CN(C)c1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21(2)19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a 3.25E+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/Q2T43RPN
More data for this
Ligand-Target Pair