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41 similar compounds to monomer 53271

Compile data set for download or QSAR
Wt: 441.4
BDBM60339
Wt: 459.8
BDBM58631
Wt: 504.3
BDBM58496
Wt: 459.8
BDBM58507
Wt: 451.5
BDBM61145
Wt: 437.4
BDBM64425
Wt: 465.5
BDBM66931
Wt: 476.2
BDBM66920
Wt: 439.4
BDBM70134
Wt: 502.3
BDBM70072
Wt: 425.4
BDBM70074
Wt: 439.4
BDBM70075
Wt: 431.8
BDBM70076
Wt: 439.4
BDBM70091
Wt: 397.3
BDBM70097
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Displayed 1 to 15 (of 41 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 60339,58631,58496,58507,61145,64425,66931,66920,70134,70072,70074,70075,70076,70091,70097   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58496
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Br)ccc2O)CC1
Show InChI InChI=1S/C19H22BrN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 4.03E+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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM66920
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-bromophenyl...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1
Show InChI InChI=1S/C17H18BrN9O3/c18-12-3-1-11(2-4-12)9-20-22-17(28)14-13(10-26-5-7-29-8-6-26)27(25-21-14)16-15(19)23-30-24-16/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM60339
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(me...)
Show SMILES CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(F)cc1)C1CCCCC1
Show InChI InChI=1S/C20H24FN9O2/c1-29(15-5-3-2-4-6-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-7-9-14(21)10-8-13/h7-11,15H,2-6,12H2,1H3,(H2,22,26)(H,25,31)
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n/an/a 2.00E+5n/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/Q2QZ28D7
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58631
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chloro...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1
Show InChI InChI=1S/C19H22ClN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 3.10E+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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM58496
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Br)ccc2O)CC1
Show InChI InChI=1S/C19H22BrN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 1.63E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61145
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-pi...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C22H29N9O2/c1-13-5-7-30(8-6-13)12-18-19(25-29-31(18)21-20(23)27-33-28-21)22(32)26-24-11-17-15(3)9-14(2)10-16(17)4/h9-11,13H,5-8,12H2,1-4H3,(H2,23,27)(H,26,32)
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n/an/an/an/a 8.18E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM58631
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chloro...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1
Show InChI InChI=1S/C19H22ClN9O3/c1-11-4-6-28(7-5-11)10-14-16(23-27-29(14)18-17(21)25-32-26-18)19(31)24-22-9-12-8-13(20)2-3-15(12)30/h2-3,8-9,11,30H,4-7,10H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 4.16E+3n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM64425
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(me...)
Show SMILES CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)cc1)C1CCCCC1
Show InChI InChI=1S/C21H27N9O2/c1-14-8-10-15(11-9-14)12-23-25-21(31)18-17(13-29(2)16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h8-12,16H,3-7,13H2,1-2H3,(H2,22,26)(H,25,31)
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n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70134
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(me...)
Show SMILES CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(O)cc1)C1CCCCC1
Show InChI InChI=1S/C20H25N9O3/c1-28(14-5-3-2-4-6-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-7-9-15(30)10-8-13/h7-11,14,30H,2-6,12H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 186n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66920
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-bromophenyl...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1
Show InChI InChI=1S/C17H18BrN9O3/c18-12-3-1-11(2-4-12)9-20-22-17(28)14-13(10-26-5-7-29-8-6-26)27(25-21-14)16-15(19)23-30-24-16/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66931
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-tert-butylp...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C23H31N9O2/c1-15-9-11-31(12-10-15)14-18-19(26-30-32(18)21-20(24)28-34-29-21)22(33)27-25-13-16-5-7-17(8-6-16)23(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3,(H2,24,28)(H,27,33)
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n/an/an/an/a 4.57E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM58507
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmeth...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Cl)ccc2O)c1CN1CCCCCC1
Show InChI InChI=1S/C19H22ClN9O3/c20-13-5-6-15(30)12(9-13)10-22-24-19(31)16-14(11-28-7-3-1-2-4-8-28)29(27-23-16)18-17(21)25-32-26-18/h5-6,9-10,30H,1-4,7-8,11H2,(H2,21,25)(H,24,31)
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n/an/an/an/a 8.67E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70072
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3-bromophen...)
Show SMILES CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C(C)c2cccc(Br)c2)CC1
Show InChI InChI=1S/C20H24BrN9O2/c1-12-6-8-29(9-7-12)11-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-13(2)14-4-3-5-15(21)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H2,22,26)(H,25,31)
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n/an/an/an/a 2.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70074
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-ethylphenyl...)
Show SMILES CCc1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1
Show InChI InChI=1S/C19H23N9O3/c1-2-13-3-5-14(6-4-13)11-21-23-19(29)16-15(12-27-7-9-30-10-8-27)28(26-22-16)18-17(20)24-31-25-18/h3-6,11H,2,7-10,12H2,1H3,(H2,20,24)(H,23,29)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70075
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-morpholinylm...)
Show SMILES CC(C)c1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1
Show InChI InChI=1S/C20H25N9O3/c1-13(2)15-5-3-14(4-6-15)11-22-24-20(30)17-16(12-28-7-9-31-10-8-28)29(27-23-17)19-18(21)25-32-26-19/h3-6,11,13H,7-10,12H2,1-2H3,(H2,21,25)(H,24,30)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70076
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-chloropheny...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Cl)c1CN1CCOCC1
Show InChI InChI=1S/C17H18ClN9O3/c18-12-4-2-1-3-11(12)9-20-22-17(28)14-13(10-26-5-7-29-8-6-26)27(25-21-14)16-15(19)23-30-24-16/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)
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n/an/an/an/a 6.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70091
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(me...)
Show SMILES CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(O)c1)C1CCCCC1
Show InChI InChI=1S/C20H25N9O3/c1-28(14-7-3-2-4-8-14)12-16-17(23-27-29(16)19-18(21)25-32-26-19)20(31)24-22-11-13-6-5-9-15(30)10-13/h5-6,9-11,14,30H,2-4,7-8,12H2,1H3,(H2,21,25)(H,24,31)
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n/an/an/an/a 712n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM70097
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-hydroxy...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(O)c2)c1CN1CCCC1
Show InChI InChI=1S/C17H19N9O3/c18-15-16(23-29-22-15)26-13(10-25-6-1-2-7-25)14(20-24-26)17(28)21-19-9-11-4-3-5-12(27)8-11/h3-5,8-9,27H,1-2,6-7,10H2,(H2,18,22)(H,21,28)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a 1.28E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58507
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmeth...)
Show SMILES Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Cl)ccc2O)c1CN1CCCCCC1
Show InChI InChI=1S/C19H22ClN9O3/c20-13-5-6-15(30)12(9-13)10-22-24-19(31)16-14(11-28-7-3-1-2-4-8-28)29(27-23-16)18-17(21)25-32-26-18/h5-6,9-10,30H,1-4,7-8,11H2,(H2,21,25)(H,24,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/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