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1 similar compounds to monomer 50291985

Wt: 661.6
BDBM50291984

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291984   
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))
BDBM50291984
PNG
(3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1cc(nn1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C31H34F3N5O8/c1-18(2)27(37-30(45)47-16-20-10-6-4-7-11-20)29(44)35-19(3)28(43)36-22(14-26(41)42)23(40)17-46-25-15-24(31(32,33)34)38-39(25)21-12-8-5-9-13-21/h4-13,15,18-19,22,27H,14,16-17H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)(H,41,42)/t19-,22?,27-/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 
PubMed
n/an/an/an/an/an/a 2.80E+5n/an/a



BASF Bioresearch Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against caspase-1


J Med Chem 43: 3351-71 (2000)

More data for this
Ligand-Target Pair