BDBM43834 2-methoxy-4-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-6-nitrophenol::2-methoxy-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitro-phenol::2-methoxy-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitrophenol::2-methoxy-4-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-6-nitrophenol::2-methoxy-6-nitro-4-[[4-(p-tolyl)piperazino]methyl]phenol::Glucosamine derivative, 7::MLS000576050::SMR000185790::cid_1375657
SMILES: COc1cc(CN2CCN(CC2)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O
InChI Key: InChIKey=IXDVAXNWWNGSIG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phosphotransferase (Trypanosoma brucei) | BDBM43834 (2-methoxy-4-[[4-(4-methylphenyl)-1-piperazinyl]met...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.50E+4 | -6.27 | 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)) | BDBM43834 (2-methoxy-4-[[4-(4-methylphenyl)-1-piperazinyl]met...) | 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 | 8.50E+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 |