BDBM50507469 CHEMBL4454357
SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCCN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
InChI Key: InChIKey=QYVWFRAIGIMPDU-ILRYNQFESA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human)) | BDBM50507469 (CHEMBL4454357) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Agricultural University Curated by ChEMBL | Assay Description Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 mi... | ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human)) | BDBM50507469 (CHEMBL4454357) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Agricultural University Curated by ChEMBL | Assay Description Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 min... | ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406 | |||||||||||
More data for this Ligand-Target Pair |