BDBM50108764 1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol::CHEMBL148936

SMILES: C[C@@H](O)c1nccc(n1)N1CCN([C@H](C)C1)c1nc(C)cc(CO)n1

InChI Key: InChIKey=CLSYUIACSIHNDU-CHWSQXEVSA-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 = 50108764   

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))	BDBM50108764 (1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN([C@H](C)C1)c1nc(C)cc(CO)n1 Show InChI InChI=1S/C17H24N6O2/c1-11-8-14(10-24)20-17(19-11)23-7-6-22(9-12(23)2)15-4-5-18-16(21-15)13(3)25/h4-5,8,12-13,24-25H,6-7,9-10H2,1-3H3/t12-,13-/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	140	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