BDBM50108767 CHEMBL148647::[4-(4-Benzooxazol-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol

SMILES: OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1

InChI Key: InChIKey=IWFROZPQZTWYAB-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 = 50108767   

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))	BDBM50108767 (CHEMBL148647 | [4-(4-Benzooxazol-2-yl-piperazin-1-...) Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(19-14)20-7-9-21(10-8-20)16-18-12-3-1-2-4-13(12)23-16/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	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
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50108767 (CHEMBL148647 | [4-(4-Benzooxazol-2-yl-piperazin-1-...) Show SMILES OCc1nccc(n1)N1CCN(CC1)c1nc2ccccc2o1 Show InChI InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(19-14)20-7-9-21(10-8-20)16-18-12-3-1-2-4-13(12)23-16/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	740	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