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4 similar compounds to monomer 48833

Compile data set for download or QSAR
Wt: 406.7
BDBM48832
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Wt: 406.7
BDBM53960
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Wt: 376.7
BDBM90442
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Wt: 422.8
BDBM50308836
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 48832,53960,90442,50308836   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50308836
PNG
(3-(3-Chloro-phenyl)-5-[1-(4-hydroxy-3-methoxy-5-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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1.80E+3n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by cell-based competitive inhibition assay


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50308836
PNG
(3-(3-Chloro-phenyl)-5-[1-(4-hydroxy-3-methoxy-5-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 4.10E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged PTP1B expressed in Escherichia coli DH5alpha using pNPP as substrate incubated for 15 mins mea...


Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 3.07E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 2.30E+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 (2009)


BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53960
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-5-3-2-4-10(11)18/h2-8,21H,1H3/b14-8-
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n/an/a 6.59E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 2.92E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 5.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53960
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-5-3-2-4-10(11)18/h2-8,21H,1H3/b14-8-
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n/an/a 9.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KD1WBN
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM53960
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-5-3-2-4-10(11)18/h2-8,21H,1H3/b14-8-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90442
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-nitro-benzy...)
Show SMILES Oc1ccc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H9ClN2O5S/c17-10-3-1-2-4-11(10)18-15(21)14(25-16(18)22)8-9-5-6-13(20)12(7-9)19(23)24/h1-8,20H/b14-8-
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n/an/an/an/a>5.30E+4n/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/Q2VX0F3D
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90442
PNG
((5Z)-3-(2-chlorophenyl)-5-(4-hydroxy-3-nitro-benzy...)
Show SMILES Oc1ccc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H9ClN2O5S/c17-10-3-1-2-4-11(10)18-15(21)14(25-16(18)22)8-9-5-6-13(20)12(7-9)19(23)24/h1-8,20H/b14-8-
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50308836
PNG
(3-(3-Chloro-phenyl)-5-[1-(4-hydroxy-3-methoxy-5-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 5.30E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50308836
PNG
(3-(3-Chloro-phenyl)-5-[1-(4-hydroxy-3-methoxy-5-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 4.10E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM48832
PNG
((5Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3-methoxy-5-n...)
Show SMILES COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O6S/c1-26-13-7-9(6-12(15(13)21)20(24)25)8-14-16(22)19(17(23)27-14)11-4-2-10(18)3-5-11/h2-8,21H,1H3/b14-8-
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n/an/a 4.79E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair