BindingDB logo
myBDB logout

BDBM240242 US9403843, 67

SMILES: CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCNC(=O)CCCCC1CCSS1

InChI Key: InChIKey=KQVNLSZAXXRRRC-PVRLSMEHSA-N

Data: 1 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 1 hit for monomerid = 240242   
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))
BDBM240242
PNG
(US9403843, 67)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C22H37N3O6S2/c1-14(2)13-16(25-21(28)18-19(31-18)22(29)30)20(27)24-11-6-5-10-23-17(26)8-4-3-7-15-9-12-32-33-15/h14-16,18-19H,3-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t15?,16-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 150n/an/an/an/an/an/a



THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

US Patent


Assay Description
The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...


US Patent US9403843 (2016)


BindingDB Entry DOI: 10.7270/Q2KP8124
More data for this
Ligand-Target Pair