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BDBM50308244 (S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutanamido)propanamido)-4-oxobutanoic acid::CHEMBL589552

InChI string: InChI=1S/C23H27N3O6/c1-13(2)20(23(32)24-14(3)21(30)25-18(12-27)11-19(28)29)26-22(31)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12-14,18,20H,11H2,1-3H3,(H,24,32)(H,25,30)(H,26,31)(H,28,29)/t14-,18-,20-/m0/s1

SMILES: CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=QSDGPAGGGCSJBM-DCPHZVHLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308244   
Target
(Institution)
LigandTarget
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
Caspase-1


(Homo sapiens (human))
BDBM50308244
PNG
((S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutana...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H27N3O6/c1-13(2)20(23(32)24-14(3)21(30)25-18(12-27)11-19(28)29)26-22(31)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,12-14,18,20H,11H2,1-3H3,(H,24,32)(H,25,30)(H,26,31)(H,28,29)/t14-,18-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1


J Med Chem 53: 2651-5 (2010)

More data for this
Ligand-Target Pair