BDBM50108738 1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::CHEMBL149981

SMILES: C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1ccnc(CCO)n1

InChI Key: InChIKey=LEJUPFRBBLYLKY-GFCCVEGCSA-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 = 50108738   

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))	BDBM50108738 (1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-piper...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1ccnc(CCO)n1 Show InChI InChI=1S/C16H22N6O2/c1-12(24)16-18-6-3-15(20-16)22-9-7-21(8-10-22)14-2-5-17-13(19-14)4-11-23/h2-3,5-6,12,23-24H,4,7-11H2,1H3/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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