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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50072545'   
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))		BDBM50072545
PNG
(6-{3-((1S,2S)-1-Benzyl-3-butylcarbamoyl-2-hydroxy-...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C1CN(CCN1C(=O)CCc1cc(OC)c(OC)c(OC)c1)C(=O)CCCCC(=O)OCC
Show InChI InChI=1S/C40H58N4O10/c1-6-8-20-41-35(46)26-32(45)30(23-28-14-10-9-11-15-28)42-40(50)31-27-43(36(47)16-12-13-17-38(49)54-7-2)21-22-44(31)37(48)19-18-29-24-33(51-3)39(53-5)34(25-29)52-4/h9-11,14-15,24-25,30-32,45H,6-8,12-13,16-23,26-27H2,1-5H3,(H,41,46)(H,42,50)/t30-,31?,32-/m0/s1
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Similars
PubMed
 1.10E+3n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against cathepsin D

Bioorg Med Chem Lett 8: 3203-6 (1999)


BindingDB Entry DOI: 10.7270/Q2D21WSG
More data for this
Ligand-Target Pair