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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50098584'   
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 L1


(Homo sapiens (Human))
BDBM50098584
PNG
(CHEMBL31947 | {1-[4-(2-Benzyloxycarbonylamino-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C34H46N4O7/c1-23(2)18-28(36-33(42)44-21-25-12-7-5-8-13-25)31(40)35-27-16-11-17-38(20-30(27)39)32(41)29(19-24(3)4)37-34(43)45-22-26-14-9-6-10-15-26/h5-10,12-15,23-24,27-29H,11,16-22H2,1-4H3,(H,35,40)(H,36,42)(H,37,43)/t27?,28-,29-/m0/s1
PDB
MMDB

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47n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Human cathepsin L


J Med Chem 44: 1380-95 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4WDC
More data for this
Ligand-Target Pair