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SMILES: COc1ccc(C(=O)N[C@H](C(O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)c(Cl)c1OC

InChI Key: InChIKey=SFMOWHAYJJYRDW-HVWQOXBCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36561   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cathepsin D


(Homo sapiens (Human))		BDBM36561
PNG
(EHJ)
Show SMILES COc1ccc(C(=O)N[C@H](C(O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)c(Cl)c1OC |r|
Show InChI InChI=1S/C38H36ClN3O9/c1-48-30-15-13-27(33(39)35(30)49-2)36(45)40-34(24-8-4-3-5-9-24)28(43)21-41(18-16-23-12-14-29-31(20-23)51-22-50-29)32(44)17-19-42-37(46)25-10-6-7-11-26(25)38(42)47/h3-15,20,28,34,43H,16-19,21-22H2,1-2H3,(H,40,45)/t28?,34-/m0/s1
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Article
PubMed
 111n/an/an/an/an/an/a3.7n/a



University of California Berkeley



Assay Description
A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.

Chem Biol 4: 297-307 (1997)


Article DOI: 10.1016/s1074-5521(97)90073-9
BindingDB Entry DOI: 10.7270/Q21R6NW9
More data for this
Ligand-Target Pair