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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-7' and Ligand = 'BDBM50273927'   
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-7


(Homo sapiens (Human))
BDBM50273927
PNG
((S)-1-(4-Fluorobenzyl)-5-(2-(4-fluorophenoxymethyl...)
Show SMILES Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C26H22F2N2O5S/c27-18-5-3-17(4-6-18)15-29-24-12-11-22(14-23(24)25(31)26(29)32)36(33,34)30-13-1-2-20(30)16-35-21-9-7-19(28)8-10-21/h3-12,14,20H,1-2,13,15-16H2/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate


J Med Chem 51: 8057-67 (2008)


Article DOI: 10.1021/jm801107u
BindingDB Entry DOI: 10.7270/Q2ZK5GHK
More data for this
Ligand-Target Pair