BDBM50108769 1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-2,6-dimethyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol::CHEMBL151560

SMILES: C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)cc(CO)n1

InChI Key: InChIKey=HOPCJRWDTAGVMB-HZSPNIEDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108769   

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))	BDBM50108769 (1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...) Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc(C)cc(CO)n1 Show InChI InChI=1S/C18H26N6O2/c1-11-7-15(10-25)21-18(20-11)23-8-12(2)24(13(3)9-23)16-5-6-19-17(22-16)14(4)26/h5-7,12-14,25-26H,8-10H2,1-4H3/t12-,13+,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	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