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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50300784'   
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))
BDBM50300784
PNG
(9-(3-hydroxypropyl)-6-(3-(1-(phenylsulfonyl)-1H-in...)
Show SMILES OCCCn1cnc2c(NCc3cccc(c3)-c3cn(c4ccccc34)S(=O)(=O)c3ccccc3)nc(nc12)C#N
Show InChI InChI=1S/C30H25N7O3S/c31-17-27-34-29(28-30(35-27)36(20-33-28)14-7-15-38)32-18-21-8-6-9-22(16-21)25-19-37(26-13-5-4-12-24(25)26)41(39,40)23-10-2-1-3-11-23/h1-6,8-13,16,19-20,38H,7,14-15,18H2,(H,32,34,35)
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PC cid
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair