BDBM81508 Bisdionin C
SMILES: Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
InChI Key: InChIKey=KEPIKAFUZRKZMT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human)) | BDBM81508 (Bisdionin C) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Edinburgh | Assay Description Chitnase inhibition by bisdionin compounds. | Chem Biol 18: 569-79 (2011) Article DOI: 10.1016/j.chembiol.2011.02.017 BindingDB Entry DOI: 10.7270/Q28W3BSN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Chitinase 1 (Homo sapiens (Human)) | BDBM81508 (Bisdionin C) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Edinburgh | Assay Description Chitnase inhibition by bisdionin compounds. | Chem Biol 18: 569-79 (2011) Article DOI: 10.1016/j.chembiol.2011.02.017 BindingDB Entry DOI: 10.7270/Q28W3BSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase (chiA1) (Neosartorya fumigata (Aspergillus fumigatus)) | BDBM81508 (Bisdionin C) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 mins | ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acidic mammalian chitinase (Mus musculus) | BDBM81508 (Bisdionin C) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of AMCase in BALB/c mouse lung homogenate using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins | ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endochitinase B1 (Aspergillus fumigatus) | BDBM81508 (Bisdionin C) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aspergillus fumigatus ChitinaseB1 expressed in Escherichia coli using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins | ACS Med Chem Lett 2: 428-432 (2011) Article DOI: 10.1021/ml200008b BindingDB Entry DOI: 10.7270/Q2RJ4KH7 | |||||||||||
More data for this Ligand-Target Pair |