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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-7' and Ligand = 'BDBM50160959'   
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))
BDBM50160959
PNG
((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...)
Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)C
Show InChI InChI=1S/C28H46N8O6/c1-7-9-10-11-12-35(6)17-29-15-24(37)20(13-25(38)39)32-27(40)23(8-2)36-16-22(18(3)4)31-26(28(36)41)30-14-21-19(5)33-42-34-21/h16,18,20,23,29H,7-15,17H2,1-6H3,(H,30,31)(H,32,40)(H,38,39)/t20-,23?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0650n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells


Bioorg Med Chem Lett 15: 1173-80 (2005)

More data for this
Ligand-Target Pair