BDBM54151 (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxy-1-oxodecyl]-methylamino]-4-methylsulfinyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid::(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxy-decanoyl]-methyl-amino]-4-methylsulfinyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid::(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulfinylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid::(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-azanyl-2-oxidanyl-decanoyl]-methyl-amino]-4-methylsulfinyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid::MLS000728323::SMR000453596::cid_16746541::microginin 690 revised
SMILES: CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
InChI Key: InChIKey=LCOSSHYAIKTVFM-VKRCEVIMSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM54151 ((2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BZLF1 (Human herpesvirus 4) | BDBM54151 ((2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 578 | 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/Q2BC3X0T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM54151 ((2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 227 | 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/Q2QN656Q | |||||||||||
More data for this Ligand-Target Pair |