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BDBM88723 (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanethione::(4-benzylpiperazino)-(4-bromophenyl)methanethione::(4-bromophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione::(4-bromophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione::1-benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine::MLS000576820::SMR000198100::cid_2185493

SMILES: Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=JLPIWKNGEVSKFT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 88723   
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))
BDBM88723
PNG
((4-benzylpiperazin-1-yl)-(4-bromophenyl)methanethi...)
Show SMILES Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H19BrN2S/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
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 2.27E+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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88723
PNG
((4-benzylpiperazin-1-yl)-(4-bromophenyl)methanethi...)
Show SMILES Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H19BrN2S/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.49E+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))
BDBM88723
PNG
((4-benzylpiperazin-1-yl)-(4-bromophenyl)methanethi...)
Show SMILES Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H19BrN2S/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
PDB
MMDB

NCI pathway
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KEGG

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PCBioAssay
n/an/a 1.81E+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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88723
PNG
((4-benzylpiperazin-1-yl)-(4-bromophenyl)methanethi...)
Show SMILES Brc1ccc(cc1)C(=S)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C18H19BrN2S/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 719n/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