BDBM50108730 1-{4-[4-(6,7-Dichloro-quinoxalin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol::CHEMBL151690

SMILES: C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1cnc2cc(Cl)c(Cl)cc2n1

InChI Key: InChIKey=UMATXLGCAAEEBJ-LLVKDONJSA-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 = 50108730   

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))	BDBM50108730 (1-{4-[4-(6,7-Dichloro-quinoxalin-2-yl)-piperazin-1...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1cnc2cc(Cl)c(Cl)cc2n1 Show InChI InChI=1S/C18H18Cl2N6O/c1-11(27)18-21-3-2-16(24-18)25-4-6-26(7-5-25)17-10-22-14-8-12(19)13(20)9-15(14)23-17/h2-3,8-11,27H,4-7H2,1H3/t11-/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	120	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