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SMILES: COC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)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(C)C

InChI Key: InChIKey=JFVDTWYNCTZBRF-CIJOKURBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232270   
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))		BDBM232270
PNG
(US9345742, 28)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)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(C)C |r|
Show InChI InChI=1S/C46H66N6O7/c1-27(2)22-37(48-39(53)23-28(3)4)43(55)51-41(29(5)6)45(57)50-36(24-31-16-11-10-12-17-31)35(47)26-40(54)49-38(44(56)52-42(30(7)8)46(58)59-9)25-33-20-15-19-32-18-13-14-21-34(32)33/h10-21,27-30,35-38,41-42H,22-26,47H2,1-9H3,(H,48,53)(H,49,54)(H,50,57)(H,51,55)(H,52,56)/t35-,36-,37-,38-,41-,42-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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