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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)' and Ligand = 'BDBM50053795'   
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
Cathepsin (B and K)


(Homo sapiens)
BDBM50053795
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H44N4O5/c1-4-26(29(37)32(40)33-16-11-17-36-18-20-41-21-19-36)34-30(38)27(22-23(2)3)35-31(39)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)
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Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair