BDBM50113491 1-(4-{(3S,5R)-4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol::CHEMBL36368

SMILES: CC(O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)O

InChI Key: InChIKey=ATNZXIACLONSSN-VTXSZYRJSA-N

Data: 2 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 2 hits for monomerid = 50113491   

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)	BDBM50113491 (1-(4-{(3S,5R)-4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-y...) Show SMILES CC(O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)O Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13?,14?	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	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))	BDBM50113491 (1-(4-{(3S,5R)-4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-y...) Show SMILES CC(O)c1nccc(n1)N1C[C@H](C)N([C@H](C)C1)c1ccnc(n1)C(C)O Show InChI InChI=1S/C18H26N6O2/c1-11-9-23(15-5-7-19-17(21-15)13(3)25)10-12(2)24(11)16-6-8-20-18(22-16)14(4)26/h5-8,11-14,25-26H,9-10H2,1-4H3/t11-,12+,13?,14?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	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