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SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NCC1CC1

InChI Key: InChIKey=VSCSPRHXTZSSMF-PLKYPPFVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232272   
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))		BDBM232272
PNG
(US9345742, 30)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)NCC1CC1 |r|
Show InChI InChI=1S/C37H62N6O5/c1-9-25(8)34(36(47)39-21-27-15-16-27)42-32(45)20-28(38)29(19-26-13-11-10-12-14-26)41-37(48)33(24(6)7)43-35(46)30(17-22(2)3)40-31(44)18-23(4)5/h10-14,22-25,27-30,33-34H,9,15-21,38H2,1-8H3,(H,39,47)(H,40,44)(H,41,48)(H,42,45)(H,43,46)/t25-,28-,29-,30-,33-,34-/m0/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a 400n/an/an/an/a5.525



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...

US Patent US9345742 (2016)


BindingDB Entry DOI: 10.7270/Q25Q4TZD
More data for this
Ligand-Target Pair