BindingDB logo
myBDB logout

BDBM50080214 Benzo[1,3]dioxole-5-carboxylic acid {(S)-1-benzyl-2-oxo-2-[2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-ethylcarbamoyl]-ethyl}-amide::CHEMBL80869

SMILES: O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=GHRUXPKTGDSWGH-QFIPXVFZSA-N

Data: 1 KI

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 1 hit for monomerid = 50080214   
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
Calpain1/2


(Homo sapiens (Human))
BDBM50080214
PNG
(Benzo[1,3]dioxole-5-carboxylic acid {(S)-1-benzyl-...)
Show SMILES O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H26N4O7S2/c34-27(29(36)31-14-15-32-42(37,38)26-12-11-25(41-26)21-8-4-5-13-30-21)22(16-19-6-2-1-3-7-19)33-28(35)20-9-10-23-24(17-20)40-18-39-23/h1-13,17,22,32H,14-16,18H2,(H,31,36)(H,33,35)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair