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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Granzyme B' and Ligand = 'BDBM50116257'   
Target
(Institution)
LigandTarget
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
Granzyme B


(Homo sapiens)
BDBM50116257
PNG
(3-[((S)-{1-[(S)-2-((3S,4S)-2-Acetylamino-3-methyl-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C19H30N4O7/c1-4-11(2)17(21-12(3)25)19(30)20-9-15(26)23-7-5-6-14(23)18(29)22-13(10-24)8-16(27)28/h10-11,13-14,17H,4-9H2,1-3H3,(H,20,30)(H,21,25)(H,22,29)(H,27,28)/t11-,13-,14-,17-/m0/s1
PDB
MMDB

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Similars

AffyNet 
PubMed
270n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition against human granzyme B


Bioorg Med Chem Lett 12: 2197-200 (2002)

More data for this
Ligand-Target Pair