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SMILES: Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1

InChI Key: InChIKey=PJGTWVUBLLWFFY-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 6 hits for monomerid = 50449   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 3.91E+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)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 1.38E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 6.88E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 1.76E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 5.54E+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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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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
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair