BDBM50118706 (S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::CHEMBL136900
SMILES: C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1ccnc(n1)N1CCN(C)CC1
InChI Key: InChIKey=HMCOWIZZDSWTIH-IXDOHACOSA-N
Data: 2 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 (Rattus norvegicus) | BDBM50118706 ((S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6 | 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 (Homo sapiens (Human)) | BDBM50118706 ((S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | 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% for 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 |