BDBM80764 MLS000031522::N-[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[4-(2-hydroxyethyl)piperazino]acenaphthen-1-yl]benzenesulfonamide::N-{2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acenaphthen-1-yl}-benzenesulfonamide::SMR000012563::cid_654682
SMILES: OCCN1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
InChI Key: InChIKey=JQAJLVIVGYEBAG-UHFFFAOYSA-N
Data: 2 EC50
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-1 (Homo sapiens (Human)) | BDBM80764 (MLS000031522 | N-[2-[4-(2-hydroxyethyl)-1-piperazi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase HKDC1 [W721R] (Homo sapiens (Human)) | BDBM80764 (MLS000031522 | N-[2-[4-(2-hydroxyethyl)-1-piperazi...) | GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV | |||||||||||
More data for this Ligand-Target Pair |