BDBM50108731 1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol::CHEMBL346682
SMILES: C[C@@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1nc(C)cc(CO)n1
InChI Key: InChIKey=DYKXXWMYNGRZFO-HZSPNIEDSA-N
Data: 1 IC50
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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Sorbitol dehydrogenase (Homo sapiens (Human)) | BDBM50108731 (1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH) | J Med Chem 45: 511-28 (2002) BindingDB Entry DOI: 10.7270/Q2R210QX | |||||||||||
More data for this Ligand-Target Pair |