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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50121908'   
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


(Rattus norvegicus)		BDBM50121908
PNG
(3-Phenyl-propionic acid (2S,3S)-3-((S)-2-benzyloxy...)
Show SMILES O=C(CCc1ccccc1)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O6/c33-24(17-16-20-10-4-1-5-11-20)38-28-25(27(35)32-28)31-26(34)23(18-21-12-6-2-7-13-21)30-29(36)37-19-22-14-8-3-9-15-22/h1-15,23,25,28H,16-19H2,(H,30,36)(H,31,34)(H,32,35)/t23-,25+,28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.71E+3n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B

Bioorg Med Chem Lett 13: 139-41 (2002)


BindingDB Entry DOI: 10.7270/Q27W6BJB
More data for this
Ligand-Target Pair