BDBM50108740 CHEMBL148935::{4-[4-(4,6-Dichloro-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanol

SMILES: OCc1nccc(n1)N1CCN(CC1)c1nc(Cl)nc(Cl)n1

InChI Key: InChIKey=ABOAIPXNJBOFBA-UHFFFAOYSA-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 = 50108740   

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))	BDBM50108740 (CHEMBL148935 | {4-[4-(4,6-Dichloro-[1,3,5]triazin-...) Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc(Cl)nc(Cl)n1 Show InChI InChI=1S/C12H13Cl2N7O/c13-10-17-11(14)19-12(18-10)21-5-3-20(4-6-21)9-1-2-15-8(7-22)16-9/h1-2,22H,3-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	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 in sheep liver sorbitol dehydrogenase (s-SDH)				J Med Chem 45: 511-28 (2002) BindingDB Entry DOI: 10.7270/Q2R210QX
					More data for this Ligand-Target Pair