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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50084640'   
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 D


(Homo sapiens (Human))		BDBM50084640
PNG
(5-{2-[3-Benzyl-4-(4-methyl-piperazine-1-carbonyl)-...)
Show SMILES CCCC[C@H](N1CCN([C@H](Cc2ccccc2)C1=O)C(=O)N1CCN(C)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN(C)C
Show InChI InChI=1S/C42H71N7O5/c1-7-8-19-36(48-26-27-49(42(54)47-24-22-46(6)23-25-47)37(41(48)53)29-33-17-13-10-14-18-33)40(52)44-35(28-32-15-11-9-12-16-32)38(50)30-34(31(2)3)39(51)43-20-21-45(4)5/h10,13-14,17-18,31-32,34-38,50H,7-9,11-12,15-16,19-30H2,1-6H3,(H,43,51)(H,44,52)/t34-,35-,36-,37+,38-/m0/s1
PDB
MMDB

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Similars
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration against cathepsin D

J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair