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BDBM34163 3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-thiopyrano[3,4-c]pyridine-4-carbonitrile::3-amino-7-(phenylmethyl)-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile::3-amino-7-benzyl-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile::3-amino-7-benzyl-1-thioxo-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile::3-azanyl-7-(phenylmethyl)-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile::MLS000030905::SMR000011772::cid_787437
SMILES: Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
InChI Key: InChIKey=LROMJUZVIXUUQW-UHFFFAOYSA-N
Data: 25 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bfl-1 (Mus musculus (Mouse)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | 7.0 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N014W6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-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 (2009) BindingDB Entry DOI: 10.7270/Q2W66J6B | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | 6.8 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q25T3HTJ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | 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)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | 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)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 7.34E+3 | 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) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 392 | 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 | |||||||||||||
| Cathepsin B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C53J7N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bfl-1 (Mus musculus (Mouse)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 |
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K072NW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Procathepsin L (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB 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 | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27D2SJC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin S (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V69H02 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.93E+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 Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q29K48M5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 502 | 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 Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25T3HWF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.79E+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) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.08E+3 | 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 | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 949 | 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 Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni... | PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2BG2MCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.41E+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 Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2X928QK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB 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 The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2SJ1J08 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.31E+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 Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2NS0S8J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.30E+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 Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2J101KZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MKP-3 (Rattus norvegicus) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.74E+3 | 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 Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DB806H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.38E+3 | 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 Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q28K77GS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.99E+3 | 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 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2125R2H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Procathepsin L (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB 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 | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WH2NDV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM34163 (3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-th...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.13E+3 | 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 | |||||||||||||
