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4 similar compounds to monomer 46225

Compile data set for download or QSAR
Wt: 454.5
BDBM43106
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Wt: 542.5
BDBM46226
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Wt: 466.5
BDBM46227
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Wt: 516.5
BDBM50361
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 43106,46226,46227,50361   
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
NCOA2 protein


(Homo sapiens (Human))
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 2.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 8.13E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 2.60E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 66n/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/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.38E+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/Q2474894
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 480n/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/Q2DB807Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.35E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.29E+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/Q28K77H7
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 2.62E+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/Q28K77H7
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 9.27E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 5.75E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 6.37E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.01E+5n/an/an/an/an/an/a



Sanford-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/Q2W66J6B
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50361
PNG
(MLS000393129 | SMR000247459 | cid_2545431)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C23H17FN2O7S2/c1-3-33-23(32)19-10(2)17-21(35-19)25-20-15(34-9-16(28)29)6-11(8-26(20)22(17)31)18(30)13-7-12(24)4-5-14(13)27/h4-8,27H,3,9H2,1-2H3,(H,28,29)
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n/an/a 2.63E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.24E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 3.30E+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: 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))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.23E+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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 7.42E+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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 209n/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/Q21N7ZJW
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 576n/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/Q21N7ZJW
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 3.62E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50361
PNG
(MLS000393129 | SMR000247459 | cid_2545431)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C23H17FN2O7S2/c1-3-33-23(32)19-10(2)17-21(35-19)25-20-15(34-9-16(28)29)6-11(8-26(20)22(17)31)18(30)13-7-12(24)4-5-14(13)27/h4-8,27H,3,9H2,1-2H3,(H,28,29)
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n/an/a 2.19E+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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/a 5.78E+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
NS3


(Hepatitis C virus)
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.95E+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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM50361
PNG
(MLS000393129 | SMR000247459 | cid_2545431)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C23H17FN2O7S2/c1-3-33-23(32)19-10(2)17-21(35-19)25-20-15(34-9-16(28)29)6-11(8-26(20)22(17)31)18(30)13-7-12(24)4-5-14(13)27/h4-8,27H,3,9H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 4.87E+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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.90E+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 (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))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 8.15E+3n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50361
PNG
(MLS000393129 | SMR000247459 | cid_2545431)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C23H17FN2O7S2/c1-3-33-23(32)19-10(2)17-21(35-19)25-20-15(34-9-16(28)29)6-11(8-26(20)22(17)31)18(30)13-7-12(24)4-5-14(13)27/h4-8,27H,3,9H2,1-2H3,(H,28,29)
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n/an/a 5.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM50361
PNG
(MLS000393129 | SMR000247459 | cid_2545431)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C23H17FN2O7S2/c1-3-33-23(32)19-10(2)17-21(35-19)25-20-15(34-9-16(28)29)6-11(8-26(20)22(17)31)18(30)13-7-12(24)4-5-14(13)27/h4-8,27H,3,9H2,1-2H3,(H,28,29)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 7.26E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 1.68E+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/Q2VQ314Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 2.02E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM46226
PNG
(MLS-0266887.0001 | cid_2545524)
Show SMILES CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
Show InChI InChI=1S/C25H22N2O8S2/c1-4-35-25(33)21-12(2)19-23(37-21)26-22-17(36-8-7-18(29)30)9-13(11-27(22)24(19)32)20(31)15-10-14(34-3)5-6-16(15)28/h5-6,9-11,28H,4,7-8H2,1-3H3,(H,29,30)
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n/an/a 7.25E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM46227
PNG
(MLS-0312434.0001 | cid_4969416)
Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)
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n/an/a 1.41E+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/Q2NC5ZRN
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM43106
PNG
(MLS000393139 | SMR000247460 | cid_4840482)
Show SMILES CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
Show InChI InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)
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n/an/an/an/a 1.47E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair