BDBM43831 5-(4-fluorobenzyl)-4-keto-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester::5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid methyl ester::Glucosamine derivative, 4::MLS000326913::SMR000179467::cid_1475682::methyl 5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate::methyl 5-[(4-fluorophenyl)methyl]-4-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate::methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
SMILES: COC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCn2n1
InChI Key: InChIKey=YVFQWAXEZSQJBV-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 |
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Phosphotransferase (Trypanosoma brucei) | BDBM43831 (5-(4-fluorobenzyl)-4-keto-6,7-dihydropyrazolo[1,5-...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.14E+5 | -5.38 | 1.80E+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)) | BDBM43831 (5-(4-fluorobenzyl)-4-keto-6,7-dihydropyrazolo[1,5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |