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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)Nc1ccn(C)n1

InChI Key: InChIKey=BMRBAPKPZQTNCQ-CIPTUXSLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232269   
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))		BDBM232269
PNG
(US9345742, 27)
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)Nc1ccn(C)n1 |r|
Show InChI InChI=1S/C37H60N8O5/c1-10-25(8)34(37(50)41-30-16-17-45(9)44-30)42-32(47)21-27(38)28(20-26-14-12-11-13-15-26)40-36(49)33(24(6)7)43-35(48)29(18-22(2)3)39-31(46)19-23(4)5/h11-17,22-25,27-29,33-34H,10,18-21,38H2,1-9H3,(H,39,46)(H,40,49)(H,42,47)(H,43,48)(H,41,44,50)/t25-,27-,28-,29-,33-,34-/m0/s1
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US Patent
n/an/a 46n/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