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BDBM232257 US9345742, 15

SMILES: COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)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=ZSLNEXZMZRVHHL-FFIZALLVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232257   
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))		BDBM232257
PNG
(US9345742, 15)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)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/C42H64N6O7/c1-25(2)20-33(44-35(49)21-26(3)4)39(51)47-37(27(5)6)41(53)46-32(22-29-16-12-10-13-17-29)31(43)24-36(50)45-34(23-30-18-14-11-15-19-30)40(52)48-38(28(7)8)42(54)55-9/h10-19,25-28,31-34,37-38H,20-24,43H2,1-9H3,(H,44,49)(H,45,50)(H,46,53)(H,47,51)(H,48,52)/t31-,32-,33-,34-,37-,38-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/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