BindingDB logo
myBDB logout

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)
LigandTarget/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
pHTemp
°C
Sorbitol dehydrogenase


(Homo sapiens (Human))
BDBM50108767
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/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)


Article DOI: 10.1021/jm010440g
BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens (Human))
BDBM50108767
PNG
(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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/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)


Article DOI: 10.1021/jm010440g
BindingDB Entry DOI: 10.7270/Q2R210QX
More data for this
Ligand-Target Pair