BDBM50257243 (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid::CHEMBL493316::Dipeptide::N-Ac-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-OH::N-acetyl-Arg{N(omega)-(N-methylcarbamoyl)}-N-methyl-Phe
SMILES: CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O
InChI Key: InChIKey=NXHZAKRRBAPHDQ-HOTGVXAUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endochitinase B1 (Aspergillus fumigatus) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | 5.5 | n/a |
University of Dundee | Assay Description Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT. | Chem Biol 15: 295-301 (2008) Article DOI: 10.1016/j.chembiol.2008.02.015 BindingDB Entry DOI: 10.7270/Q2JH3JN1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Chitinase 1 (Homo sapiens (Human)) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | 5.5 | n/a |
University of Dundee | Assay Description Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT. | Chem Biol 15: 295-301 (2008) Article DOI: 10.1016/j.chembiol.2008.02.015 BindingDB Entry DOI: 10.7270/Q2JH3JN1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase B (Serratia marcescens) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of Serratia marcescens chitinase B | Bioorg Med Chem 18: 5835-44 (2010) Article DOI: 10.1016/j.bmc.2010.06.093 BindingDB Entry DOI: 10.7270/Q2FQ9WTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase B (Serratia marcescens) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB | Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase C1 (Serratia marcescens) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC | Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase A (Serratia marcescens) | BDBM50257243 ((2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)c...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA | Bioorg Med Chem 17: 2751-8 (2009) Article DOI: 10.1016/j.bmc.2009.02.047 BindingDB Entry DOI: 10.7270/Q2PR7VVM | |||||||||||
More data for this Ligand-Target Pair |