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SMILES: Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1

InChI Key: InChIKey=ZHHRPVBWMDMZBF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 52609   
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
POsterior Segregation


(Caenorhabditis elegans)
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|
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)
PDB

KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PCBioAssay
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
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 |c:10,17|
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)
KEGG

UniProtKB/SwissProt

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UniChem

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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
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 |c:10,17|
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
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 |c:10,17|
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
Bcl-2-related protein A1


(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 |c:10,17|
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/Hypocretin 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 |c:10,17|
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
Orexin/Hypocretin 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 |c:10,17|
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