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BDBM58032 2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl)-malononitrile::2-(1,3-diketoindan-2-yl)-2-(2-methyl-1H-indol-3-yl)malononitrile::2-(1,3-dioxo-2-indenyl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile::2-(1,3-dioxoinden-2-yl)-2-(2-methyl-1H-indol-3-yl)propanedinitrile::2-[1,3-bis(oxidanylidene)inden-2-yl]-2-(2-methyl-1H-indol-3-yl)propanedinitrile::MLS000779290::SMR000416004::cid_582632

SMILES: Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=STVUWNZRVYWDSV-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 58032   
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)
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00536
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM58032
PNG
(2-(1,3-Dioxo-indan-2-yl)-2-(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H13N3O2/c1-12-17(15-8-4-5-9-16(15)24-12)21(10-22,11-23)18-19(25)13-6-2-3-7-14(13)20(18)26/h2-9,18,24H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>1.00E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00607
More data for this
Ligand-Target Pair