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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289393'   
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))
BDBM50289393
PNG
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)
Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C32H31N3O7/c1-2-10-27(31(40)34-26(19-29(37)38)28(36)20-42-22-13-4-3-5-14-22)35-18-9-17-25(32(35)41)33-30(39)24-16-8-12-21-11-6-7-15-23(21)24/h3-9,11-18,26-27H,2,10,19-20H2,1H3,(H,33,39)(H,34,40)(H,37,38)/t26-,27?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme.


Bioorg Med Chem Lett 7: 1337-1342 (1997)


Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C
More data for this
Ligand-Target Pair