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7 similar compounds to monomer 70982

Compile data set for download or QSAR
Wt: 405.2
BDBM44160
Wt: 312.3
BDBM52609
Wt: 340.4
BDBM57991
Wt: 326.3
BDBM58165
Wt: 312.3
BDBM56755
Wt: 296.3
BDBM67520
Wt: 393.2
BDBM66647

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 44160,52609,57991,58165,56755,67520,66647   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44160
PNG
(1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3...)
Show SMILES COc1ccccc1NC(=S)NNC1=c2cc(Br)ccc2=NC1=O
Show InChI InChI=1S/C16H13BrN4O2S/c1-23-13-5-3-2-4-12(13)19-16(24)21-20-14-10-8-9(17)6-7-11(10)18-15(14)22/h2-8H,1H3,(H,18,20,22)(H2,19,21,24)
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n/an/an/an/a 363n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a 763n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/an/an/a 1.63E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/an/an/a 3.99E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56755
PNG
(1-(3-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1
Show InChI InChI=1S/C15H12N4O2S/c20-10-5-3-4-9(8-10)16-15(22)19-18-13-11-6-1-2-7-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57991
PNG
(1-(4-ethoxyphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES CCOc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C17H16N4O2S/c1-2-23-12-9-7-11(8-10-12)18-17(24)21-20-15-13-5-3-4-6-14(13)19-16(15)22/h3-10H,2H2,1H3,(H2,18,21,24)(H,19,20,22)
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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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58165
PNG
(1-(4-methoxyphenyl)-3-[(2-oxidanylideneindol-3-yl)...)
Show SMILES COc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C16H14N4O2S/c1-22-11-8-6-10(7-9-11)17-16(23)20-19-14-12-4-2-3-5-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,23)(H,18,19,21)
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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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66647
PNG
(1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3...)
Show SMILES Fc1ccc(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)cc1
Show InChI InChI=1S/C15H10BrFN4OS/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(23)18-10-4-2-9(17)3-5-10/h1-7H,(H2,18,21,23)(H,19,20,22)
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n/an/an/an/a 4.35E+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
NADPH oxidase 1


(Homo sapiens (Human))
BDBM67520
PNG
(1-[(2-ketoindol-3-yl)amino]-3-phenyl-thiourea | 1-...)
Show SMILES O=C1N=c2ccccc2=C1NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9H,(H2,16,19,21)(H,17,18,20)
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n/an/a>1.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM57991
PNG
(1-(4-ethoxyphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES CCOc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C17H16N4O2S/c1-2-23-12-9-7-11(8-10-12)18-17(24)21-20-15-13-5-3-4-6-14(13)19-16(15)22/h3-10H,2H2,1H3,(H2,18,21,24)(H,19,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a 2.17E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a 3.24E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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n/an/a 4.36E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44160
PNG
(1-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]-3...)
Show SMILES COc1ccccc1NC(=S)NNC1=c2cc(Br)ccc2=NC1=O
Show InChI InChI=1S/C16H13BrN4O2S/c1-23-13-5-3-2-4-12(13)19-16(24)21-20-14-10-8-9(17)6-7-11(10)18-15(14)22/h2-8H,1H3,(H,18,20,22)(H2,19,21,24)
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n/an/an/an/a 710n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair