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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50002398'   
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))
BDBM50002398
PNG
(CHEMBL196023)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H31N5O5S/c1-18(2)16-22(31-26(34)20-10-5-8-19-9-6-14-29-25(19)20)27(35)30-21-11-7-15-32(17-23(21)33)38(36,37)24-12-3-4-13-28-24/h3-6,8-10,12-14,18,21-22H,7,11,15-17H2,1-2H3,(H,30,35)(H,31,34)/t21-,22-/m0/s1
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MMDB

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Article
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8.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)


Article DOI: 10.1021/jm0502079
BindingDB Entry DOI: 10.7270/Q2WM1CZC
More data for this
Ligand-Target Pair