BDBM30768 2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide::2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide::2-amino-N-isoamyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide::2-azanyl-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide::MLS000041744::SMR000043890::US9073941, 1012::cid_663108
SMILES: COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
InChI Key: InChIKey=FAZAOASEFRPREN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Academia Sinica US Patent | Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (... | US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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 | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.14E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PZ576Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.75E+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) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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 | |||||||||||||
Dual specificity phosphatase Cdc25B (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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 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 | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.62E+4 | 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)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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 | |||||||||||||
Caspase-9 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.29E+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 | |||||||||||||
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Academia Sinica US Patent | Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc... | US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human)) | BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.62E+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 |