BDBM50113496 (S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::1-(4-{4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::CHEMBL287890
SMILES: C[C@H](O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)[C@@H](C)O
InChI Key: InChIKey=ATNZXIACLONSSN-RFQIPJPRSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sorbitol dehydrogenase (Homo sapiens (Human)) | BDBM50113496 ((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition against human recombinant sorbitol dehydrogenase | Bioorg Med Chem Lett 12: 1477-80 (2002) BindingDB Entry DOI: 10.7270/Q2XS5TPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sorbitol dehydrogenase (Rattus norvegicus) | BDBM50113496 ((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 11 | 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 activity against rat SDH (sorbitol dehydrogenase) | J Med Chem 45: 4398-401 (2002) BindingDB Entry DOI: 10.7270/Q2V69HZM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sorbitol dehydrogenase (Rattus norvegicus) | BDBM50113496 ((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of recombinant rat sorbitol dehydrogenase | Bioorg Med Chem Lett 12: 1477-80 (2002) BindingDB Entry DOI: 10.7270/Q2XS5TPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sorbitol dehydrogenase (Homo sapiens (Human)) | BDBM50113496 ((S)-1-(4-{(3S,5R)-4-[2-((R)-1-Hydroxy-ethyl)-pyrim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 10 | 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 activity against human SDH (sorbitol dehydrogenase) | J Med Chem 45: 4398-401 (2002) BindingDB Entry DOI: 10.7270/Q2V69HZM | |||||||||||
More data for this Ligand-Target Pair |