BDBM34697 MLS000569396::N-(1-butan-2-yl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide::N-(1-butan-2-yl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide::N-(1-butan-2-yl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide::N-(3-cyano-1-sec-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide::SMR000154973::US9073941, 1004::cid_4101144
SMILES: CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
InChI Key: InChIKey=IFWNFAINJCODLT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MPI protein (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.60E+3 | 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) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26D5RD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.95E+3 | 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) Assay... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2902257 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.51E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.40E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | UniProtKB/SwissProt GoogleScholar AffyNet | 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 | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2C827R9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-1-specific protease (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 984 | 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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.33E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 870 | 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 | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM34697 (MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.24E+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 (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H | |||||||||||
More data for this Ligand-Target Pair |