BDBM50108741 1-[4-(4-Isoquinolin-1-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol::CHEMBL346418

SMILES: C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc2ccccc12

InChI Key: InChIKey=MTKBETYFVNKLOG-CQSZACIVSA-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 = 50108741   

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))	BDBM50108741 (1-[4-(4-Isoquinolin-1-yl-piperazin-1-yl)-pyrimidin...) Show SMILES C[C@@H](O)c1nccc(n1)N1CCN(CC1)c1nccc2ccccc12 Show InChI InChI=1S/C19H21N5O/c1-14(25)18-20-9-7-17(22-18)23-10-12-24(13-11-23)19-16-5-3-2-4-15(16)6-8-21-19/h2-9,14,25H,10-13H2,1H3/t14-/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	34	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