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BDBM50108744 1-[4-(2,6-Dimethyl-4-oxazolo[5,4-c]pyridin-2-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol::CHEMBL345725

SMILES: C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc2ccncc2o1

InChI Key: InChIKey=FXGPTHJUNMZVSD-FRRDWIJNSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108744   
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))
BDBM50108744
PNG
(1-[4-(2,6-Dimethyl-4-oxazolo[5,4-c]pyridin-2-yl-pi...)
Show SMILES C[C@@H](O)c1nccc(n1)N1[C@@H](C)CN(C[C@H]1C)c1nc2ccncc2o1
Show InChI InChI=1S/C18H22N6O2/c1-11-9-23(18-21-14-4-6-19-8-15(14)26-18)10-12(2)24(11)16-5-7-20-17(22-16)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3/t11-,12+,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 270n/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)


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