BDBM46589 2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-naphthyridin-3-yl)sulfanyl]acetic acid::2-[(1,8-diamino-5-cyano-6-piperidino-2,7-naphthyridin-3-yl)thio]acetic acid::2-[[1,8-bis(azanyl)-5-cyano-6-piperidin-1-yl-2,7-naphthyridin-3-yl]sulfanyl]ethanoic acid::2-[[1,8-diamino-5-cyano-6-(1-piperidinyl)-2,7-naphthyridin-3-yl]thio]acetic acid::MLS000773334::SMR000364051::cid_3327739
SMILES: Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
InChI Key: InChIKey=BGYDUWHYSPAIGF-UHFFFAOYSA-N
Data: 10 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Valosin-containing protein (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2513WMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Valosin-containing protein (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2P26WJQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 860 | 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)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | 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 | 3.92E+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 | |||||||||||||
Fructose-1,6-bisphosphate aldolase (FBA) (Mycobacterium tuberculosis (strain H37Rv)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q25719N6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PPP5C protein (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23T9FN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | 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 | 3.37E+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 | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.06E+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/Q2MS3R7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-1-specific protease (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.26E+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/Q27H1H10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
protein phosphatase 1, catalytic subunit, alpha isoform 3 (Homo sapiens (Human)) | BDBM46589 (2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...) | 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 | 4.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27M06CD | |||||||||||
More data for this Ligand-Target Pair |