BDBM43835 Glucosamine derivative, 8::MLS000582359::N-cyclohexyl-5-nitro-2-(1-piperidinyl)benzamide::N-cyclohexyl-5-nitro-2-piperidin-1-yl-benzamide::N-cyclohexyl-5-nitro-2-piperidin-1-ylbenzamide::N-cyclohexyl-5-nitro-2-piperidino-benzamide::SMR000200900::cid_2967968
SMILES: [O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1
InChI Key: InChIKey=XKERFMALTBEROZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hexokinase (Trypanosoma brucei) | BDBM43835 (Glucosamine derivative, 8 | MLS000582359 | N-cyclo...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.80E+3 | -7.57 | 5.00E+5 | 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)) | BDBM43835 (Glucosamine derivative, 8 | MLS000582359 | N-cyclo...) | 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 |