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SMILES: O[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1

InChI Key: InChIKey=JYKLPRVNXSFXRG-AWCRTANDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50506529   
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))		BDBM50506529
PNG
(CHEMBL4474088)
Show SMILES O[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C32H45N3O4/c36-29-24-31(38)35-28(23-26-18-12-9-13-19-26)32(39)33-21-15-7-5-3-1-2-4-6-14-20-30(37)34-27(29)22-25-16-10-8-11-17-25/h8-13,16-19,27-29,36H,1-7,14-15,20-24H2,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,29-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...

J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair