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SMILES: O[C@H]1CC(=O)N[C@@H](C2CCCCC2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1

InChI Key: InChIKey=OCOOKNHMGQCTBG-VWYPKUQYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50506532   
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))		BDBM50506532
PNG
(CHEMBL4561907)
Show SMILES O[C@H]1CC(=O)N[C@@H](C2CCCCC2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1 |r|
Show InChI InChI=1S/C31H49N3O4/c35-27-23-29(37)34-30(25-18-12-9-13-19-25)31(38)32-21-15-7-5-3-1-2-4-6-14-20-28(36)33-26(27)22-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30,35H,1-7,9,12-15,18-23H2,(H,32,38)(H,33,36)(H,34,37)/t26-,27-,30-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/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
BindingDB Entry DOI: 10.7270/Q24Q7Z8X
More data for this
Ligand-Target Pair