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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin E' and Ligand = 'BDBM50045293'   
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 E


(Homo sapiens (Human))		BDBM50045293
PNG
(CHEMBL90683 | N-[(1-Cyclohexylmethyl-2,4-dihydroxy...)
Show SMILES CC[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C28H46N4O7S/c1-2-23(33)19-26(34)24(17-21-9-5-3-6-10-21)30-27(35)20-29-28(36)25(18-22-11-7-4-8-12-22)31-40(37,38)32-13-15-39-16-14-32/h4,7-8,11-12,21,23-26,31,33-34H,2-3,5-6,9-10,13-20H2,1H3,(H,29,36)(H,30,35)/t23-,24+,25+,26+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity against human cathepsin E

J Med Chem 36: 2614-20 (1993)


BindingDB Entry DOI: 10.7270/Q2X0664J
More data for this
Ligand-Target Pair