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BDBM32004 2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-dione::2-(3-ketoindolin-2-ylidene)indane-1,3-quinone::2-(3-oxidanylidene-1H-indol-2-ylidene)indene-1,3-dione::2-(3-oxo-1H-indol-2-ylidene)indene-1,3-dione::MLS000071738::SMR000010447::cid_649556
SMILES: O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
InChI Key: InChIKey=XXSJHAICOWNQBL-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-9 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q20863PV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2VH5M71 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2QR4VH9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D6B | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2M043S8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2G73C2Z | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.91E+4 | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Z036KJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2T72FVT | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N58JS6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| putative hexokinase HKDC1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.47E+4 | n/a | n/a | n/a | n/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/Q2R78CQV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Hexokinase type I (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/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/Q2765CSM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2JS9NZB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2F18X8S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM32004 (2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 22 |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769WQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
