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BDBM50189828 1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino)-4-methyl-1-oxopentan-2-yl)-3-phenylthiourea::CHEMBL207440::SNJ-1715

SMILES: CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=DFTOOBKXSNAAPW-ADTLFGHVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189828   
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)
BDBM50189828
PNG
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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
Calpain1/2


(Homo sapiens (Human))
BDBM50189828
PNG
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/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