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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50282978'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-1


(Homo sapiens (Human))
BDBM50282978
PNG
(3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1
Show InChI InChI=1S/C31H39N3O8/c1-20(2)29(34-26(36)16-14-22-10-6-4-7-11-22)31(41)32-21(3)30(40)33-24(18-27(37)38)25(35)19-42-28(39)17-15-23-12-8-5-9-13-23/h4-13,20-21,24,29H,14-19H2,1-3H3,(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t21-,24?,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 1965-1968 (1994)


Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD
More data for this
Ligand-Target Pair