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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-6' and Ligand = 'BDBM50119257'   
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-6


(Homo sapiens (Human))
BDBM50119257
PNG
(3-{[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbam...)
Show SMILES CC(C)C(NC(=O)COc1cc2ccccc2cc1C(O)=O)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C22H24N2O8/c1-11(2)19(20(27)23-15-9-18(26)32-22(15)30)24-17(25)10-31-16-8-13-6-4-3-5-12(13)7-14(16)21(28)29/h3-8,11,15,19,22,30H,9-10H2,1-2H3,(H,23,27)(H,24,25)(H,28,29)/t15-,19?,22?/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Caspase-6


Bioorg Med Chem Lett 12: 2973-5 (2002)


BindingDB Entry DOI: 10.7270/Q24M93VX
More data for this
Ligand-Target Pair