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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50274102'   
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))		BDBM50274102
PNG
(5-{(S)-2-[(3S,4S)-5-(3,5-Difluoro-benzyloxy)-4-(3-...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C39H46F2N4O10/c1-5-10-45(11-6-2)37(50)25-9-7-8-24(14-25)35(48)43-31(21-55-20-23-12-28(40)18-29(41)13-23)32(46)19-33(47)44-34(22(3)4)36(49)42-30-16-26(38(51)52)15-27(17-30)39(53)54/h7-9,12-18,22,31-32,34,46H,5-6,10-11,19-21H2,1-4H3,(H,42,49)(H,43,48)(H,44,47)(H,51,52)(H,53,54)/t31-,32-,34-/m0/s1
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Similars
Article
PubMed
 930n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D

Bioorg Med Chem 16: 9471-86 (2008)


Article DOI: 10.1016/j.bmc.2008.09.041
BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
More data for this
Ligand-Target Pair