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BDBM50189826 (S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-3-methylbutanamide::CHEMBL209736

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=QHZOMDFYCYONFD-QNIGDANOSA-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 = 50189826   
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
Calpain 2


(Sus scrofa)
BDBM50189826
PNG
((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1


(Homo sapiens (Human))
BDBM50189826
PNG
((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair