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7 similar compounds to monomer 83086

Compile data set for download or QSAR
Wt: 438.5
BDBM83084
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Wt: 474.5
BDBM83091
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Wt: 458.9
BDBM88997
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Wt: 381.4
BDBM88999
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Wt: 478.4
BDBM89002
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Wt: 383.4
BDBM89004
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Wt: 395.4
BDBM89006
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 83084,83091,88997,88999,89002,89004,89006   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM83084
PNG
(MLS001140096 | N-[2-(2-ethylanilino)-2-keto-ethyl]...)
Show SMILES CCc1ccccc1NC(=O)CNC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H26N4O3S/c1-2-14-7-3-5-9-16(14)25-20(29)13-24-19(28)12-11-18-26-22(30)21-15-8-4-6-10-17(15)31-23(21)27-18/h3,5,7,9H,2,4,6,8,10-13H2,1H3,(H,24,28)(H,25,29)(H,26,27,30)
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KEGG

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B.MOAD
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n/an/a 5.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM83091
PNG
(MLS001157042 | N-[2-(2,6-difluoroanilino)-2-keto-e...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H24F2N4O3S/c1-2-29(12-18(30)28-21-14(24)7-5-8-15(21)25)19(31)11-10-17-26-22(32)20-13-6-3-4-9-16(13)33-23(20)27-17/h5,7-8H,2-4,6,9-12H2,1H3,(H,28,30)(H,26,27,32)
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n/an/a 4.40E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88997
PNG
(MLS001097770 | N-[2-(4-chloroanilino)-2-keto-ethyl...)
Show SMILES CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H23ClN4O3S/c1-27(12-18(28)24-14-8-6-13(23)7-9-14)19(29)11-10-17-25-21(30)20-15-4-2-3-5-16(15)31-22(20)26-17/h6-9H,2-5,10-12H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 2.64E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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
Thrombin


(Bos taurus (Bovine))
BDBM88999
PNG
(MLS001139671 | N-(4-ethylphenyl)-3-(4-keto-5,6,7,8...)
Show SMILES CCc1ccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C21H23N3O2S/c1-2-13-7-9-14(10-8-13)22-18(25)12-11-17-23-20(26)19-15-5-3-4-6-16(15)27-21(19)24-17/h7-10H,2-6,11-12H2,1H3,(H,22,25)(H,23,24,26)
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n/an/a 3.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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
Thrombin


(Bos taurus (Bovine))
BDBM89002
PNG
(3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H21F3N4O3S/c1-29(10-16(30)26-13-7-6-12(23)19(24)20(13)25)17(31)9-8-15-27-21(32)18-11-4-2-3-5-14(11)33-22(18)28-15/h6-7H,2-5,8-10H2,1H3,(H,26,30)(H,27,28,32)
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n/an/a 6.13E+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
Thrombin


(Bos taurus (Bovine))
BDBM83091
PNG
(MLS001157042 | N-[2-(2,6-difluoroanilino)-2-keto-e...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H24F2N4O3S/c1-2-29(12-18(30)28-21-14(24)7-5-8-15(21)25)19(31)11-10-17-26-22(32)20-13-6-3-4-9-16(13)33-23(20)27-17/h5,7-8H,2-4,6,9-12H2,1H3,(H,28,30)(H,26,27,32)
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n/an/a 8.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM89006
PNG
(MLS001139645 | N-(3-acetylphenyl)-3-(4-keto-5,6,7,...)
Show SMILES CC(=O)c1cccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1
Show InChI InChI=1S/C21H21N3O3S/c1-12(25)13-5-4-6-14(11-13)22-18(26)10-9-17-23-20(27)19-15-7-2-3-8-16(15)28-21(19)24-17/h4-6,11H,2-3,7-10H2,1H3,(H,22,26)(H,23,24,27)
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n/an/a 3.39E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89006
PNG
(MLS001139645 | N-(3-acetylphenyl)-3-(4-keto-5,6,7,...)
Show SMILES CC(=O)c1cccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1
Show InChI InChI=1S/C21H21N3O3S/c1-12(25)13-5-4-6-14(11-13)22-18(26)10-9-17-23-20(27)19-15-7-2-3-8-16(15)28-21(19)24-17/h4-6,11H,2-3,7-10H2,1H3,(H,22,26)(H,23,24,27)
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n/an/a 3.55E+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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88997
PNG
(MLS001097770 | N-[2-(4-chloroanilino)-2-keto-ethyl...)
Show SMILES CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H23ClN4O3S/c1-27(12-18(28)24-14-8-6-13(23)7-9-14)19(29)11-10-17-25-21(30)20-15-4-2-3-5-16(15)31-22(20)26-17/h6-9H,2-5,10-12H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 3.07E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88999
PNG
(MLS001139671 | N-(4-ethylphenyl)-3-(4-keto-5,6,7,8...)
Show SMILES CCc1ccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
Show InChI InChI=1S/C21H23N3O2S/c1-2-13-7-9-14(10-8-13)22-18(25)12-11-17-23-20(26)19-15-5-3-4-6-16(15)27-21(19)24-17/h7-10H,2-6,11-12H2,1H3,(H,22,25)(H,23,24,26)
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n/an/a 3.76E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM89002
PNG
(3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3...)
Show SMILES CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C22H21F3N4O3S/c1-29(10-16(30)26-13-7-6-12(23)19(24)20(13)25)17(31)9-8-15-27-21(32)18-11-4-2-3-5-14(11)33-22(18)28-15/h6-7H,2-5,8-10H2,1H3,(H,26,30)(H,27,28,32)
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n/an/a 4.65E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM83091
PNG
(MLS001157042 | N-[2-(2,6-difluoroanilino)-2-keto-e...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C23H24F2N4O3S/c1-2-29(12-18(30)28-21-14(24)7-5-8-15(21)25)19(31)11-10-17-26-22(32)20-13-6-3-4-9-16(13)33-23(20)27-17/h5,7-8H,2-4,6,9-12H2,1H3,(H,28,30)(H,26,27,32)
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n/an/a 1.99E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM89004
PNG
(3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3...)
Show SMILES COc1ccccc1NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N3O3S/c1-26-14-8-4-3-7-13(14)21-17(24)11-10-16-22-19(25)18-12-6-2-5-9-15(12)27-20(18)23-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,24)(H,22,23,25)
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n/an/a 3.31E+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/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM89004
PNG
(3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3...)
Show SMILES COc1ccccc1NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N3O3S/c1-26-14-8-4-3-7-13(14)21-17(24)11-10-16-22-19(25)18-12-6-2-5-9-15(12)27-20(18)23-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,21,24)(H,22,23,25)
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n/an/a 4.79E+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