BDBM43837 (4S,5R,6R)-1-(2-ethoxy-2-keto-ethyl)-2-keto-6-methyl-4-phenethyl-hexahydropyrimidine-5-carboxylic acid methyl ester::(4S,5R,6R)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylic acid methyl ester::CMLD004122::Glucosamine derivative, 10::MLS000438533::SMR000452888::cid_16759682::methyl (4S,5R,6R)-1-(2-ethoxy-2-oxidanylidene-ethyl)-6-methyl-2-oxidanylidene-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate::methyl (4S,5R,6R)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
SMILES: CCOC(=O)CN1[C@H](C)[C@@H]([C@H](CCc2ccccc2)NC1=O)C(=O)OC
InChI Key: InChIKey=MBRHOQNQMFRYCG-KMFMINBZSA-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 |
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Phosphotransferase (Trypanosoma brucei) | BDBM43837 ((4S,5R,6R)-1-(2-ethoxy-2-keto-ethyl)-2-keto-6-meth...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.00E+4 | -5.66 | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | 25 |
Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique | Assay Description Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur... | Chem Biol 9: 839-47 (2002) Article DOI: 10.1016/S1074-5521(02)00169-2 BindingDB Entry DOI: 10.7270/Q2MC8XF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human)) | BDBM43837 ((4S,5R,6R)-1-(2-ethoxy-2-keto-ethyl)-2-keto-6-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BV7F1T | |||||||||||
More data for this Ligand-Target Pair |