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312 molecules are shown

Wt: 463.4
BDBM37712
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Wt: 388.4
BDBM40987
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Wt: 280.2
BDBM40211
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Wt: 319.3
BDBM40246
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Wt: 309.3
BDBM43224
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Wt: 496.5
BDBM42235
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Wt: 325.2
BDBM46203
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Wt: 350.4
BDBM46206
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Wt: 412.0
BDBM46222
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Wt: 498.5
BDBM46225
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Wt: 542.5
BDBM46226
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Wt: 452.2
BDBM46235
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Wt: 472.5
BDBM46237
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Wt: 407.8
BDBM46238
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Wt: 318.3
BDBM44438
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<<  First   |  Previous   |  Displayed 16 to 30 (of 312 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 188 hits for monomerid = 37712,40211,40246,40987,42235,43224,44438,46203,46206,46222,46225,46226,46235,46237,46238   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37712
PNG
(4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H...)
Show SMILES OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
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6.60E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37712
PNG
(4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H...)
Show SMILES OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
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2.23E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM37712
PNG
(4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H...)
Show SMILES OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
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n/an/a 3.41E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM37712
PNG
(4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H...)
Show SMILES OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
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n/an/a 1.09E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40987
PNG
(MLS000109444 | N-[(4E)-4-(3H-1,3-benzoxazol-2-ylid...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)
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n/an/a>7.00E+4n/an/an/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 Assa...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 1.81E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40246
PNG
(3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid |...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-3-17(14-7-5-4-6-8-14)22(20,21)15-11-13(16(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
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n/an/a 1.31E+4n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
YopH


(Yersinia enterocolitica)
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/an/an/a 1.44E+3n/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-rela...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a>1.00E+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 (2008)

More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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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


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46203
PNG
(1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea |...)
Show SMILES Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
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n/an/a 593n/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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46206
PNG
(MLS-0109562.0001 | [1-(2-phenoxyethyl)-3-indolyl]-...)
Show SMILES S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
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n/an/a 1.01E+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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 1.17E+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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 321n/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)

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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 2.29E+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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46237
PNG
(4-[3-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O6S2/c1-29-16-8-3-13(11-17(16)30-2)12-18-20(26)24(22(31)32-18)10-9-19(25)23-15-6-4-14(5-7-15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,27,28)/b18-12-
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n/an/a 1.27E+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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46238
PNG
(3-[[2-chloranyl-4-[(E)-2-cyano-2-(3-fluorophenyl)e...)
Show SMILES OC(=O)c1cccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Cl)c1
Show InChI InChI=1S/C23H15ClFNO3/c24-21-11-15(9-19(13-26)17-4-2-6-20(25)12-17)7-8-22(21)29-14-16-3-1-5-18(10-16)23(27)28/h1-12H,14H2,(H,27,28)/b19-9-
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n/an/a 3.96E+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)

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)

More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM40987
PNG
(MLS000109444 | N-[(4E)-4-(3H-1,3-benzoxazol-2-ylid...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)
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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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)

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


(Homo sapiens (Human))
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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n/an/a 1.58E+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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46203
PNG
(1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea |...)
Show SMILES Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
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n/an/a>9.90E+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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46206
PNG
(MLS-0109562.0001 | [1-(2-phenoxyethyl)-3-indolyl]-...)
Show SMILES S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
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n/an/a>9.90E+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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 382n/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)

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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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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46203
PNG
(1-(2,6-dichlorophenyl)-3-(2-phenylethyl)thiourea |...)
Show SMILES Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C15H14Cl2N2S/c16-12-7-4-8-13(17)14(12)19-15(20)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,18,19,20)
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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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46206
PNG
(MLS-0109562.0001 | [1-(2-phenoxyethyl)-3-indolyl]-...)
Show SMILES S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
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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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 1.26E+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, C...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 1.24E+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)

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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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)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40246
PNG
(3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid |...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-3-17(14-7-5-4-6-8-14)22(20,21)15-11-13(16(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
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n/an/a 1.83E+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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 5.22E+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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40246
PNG
(3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid |...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C16H17NO4S/c1-3-17(14-7-5-4-6-8-14)22(20,21)15-11-13(16(18)19)10-9-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
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n/an/a 6.12E+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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 4.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400100g
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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n/an/a 1.23E+4n/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)

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)

More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 1.03E+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)


Article DOI: 10.1021/cb400150c
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)


Article DOI: 10.1021/cb400150c
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM40987
PNG
(MLS000109444 | N-[(4E)-4-(3H-1,3-benzoxazol-2-ylid...)
Show SMILES CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
Show InChI InChI=1S/C23H20N2O4/c1-2-15-7-10-17(11-8-15)28-14-22(27)24-16-9-12-18(20(26)13-16)23-25-19-5-3-4-6-21(19)29-23/h3-13,26H,2,14H2,1H3,(H,24,27)
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n/an/a 5.28E+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 (2008)


Article DOI: 10.1021/cb3006165
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)

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


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
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n/an/a 400n/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)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46206
PNG
(MLS-0109562.0001 | [1-(2-phenoxyethyl)-3-indolyl]-...)
Show SMILES S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2
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n/an/a 8.80E+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)


Article DOI: 10.1021/cb400100g
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
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n/an/a 3.69E+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)


Article DOI: 10.1021/cb400100g
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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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)


Article DOI: 10.1021/cb400100g
More data for this
Ligand-Target Pair
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