BDBM50108720 1-{4-[4-(4,6-Bis-trifluoromethyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol::CHEMBL148436

SMILES: C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=RXLXTRACRNDDLO-SECBINFHSA-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 = 50108720   

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))	BDBM50108720 (1-{4-[4-(4,6-Bis-trifluoromethyl-pyrimidin-2-yl)-p...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H16F6N6O/c1-9(29)13-23-3-2-12(26-13)27-4-6-28(7-5-27)14-24-10(15(17,18)19)8-11(25-14)16(20,21)22/h2-3,8-9,29H,4-7H2,1H3/t9-/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	190	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