BDBM50108726 CHEMBL146805::[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol

SMILES: OCc1nccc(n1)N1CCN(CC1)c1nsc2ccccc12

InChI Key: InChIKey=ZXOSMHHZPYWUKP-UHFFFAOYSA-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 = 50108726   

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))	BDBM50108726 (CHEMBL146805 | [4-(4-Benzo[d]isothiazol-3-yl-piper...) Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C16H17N5OS/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	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
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50108726 (CHEMBL146805 | [4-(4-Benzo[d]isothiazol-3-yl-piper...) Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C16H17N5OS/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	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