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BDBM50121296 2-(2-{2-[2-(2-Acetylamino-4-methylsulfanyl-butyrylamino)-3-carbamoyl-propionylamino]-acetylamino}-3-phenyl-propionylamino)-pentanedioic acid diamide::CHEMBL147223

SMILES: CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O

InChI Key: InChIKey=VGEFYMHTWFYHLJ-MUGJNUQGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121296   
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 L1


(Homo sapiens (Human))
BDBM50121296
PNG
(2-(2-{2-[2-(2-Acetylamino-4-methylsulfanyl-butyryl...)
Show SMILES CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C27H40N8O8S/c1-15(36)32-18(10-11-44-2)26(42)35-20(13-22(29)38)25(41)31-14-23(39)33-19(12-16-6-4-3-5-7-16)27(43)34-17(24(30)40)8-9-21(28)37/h3-7,17-20H,8-14H2,1-2H3,(H2,28,37)(H2,29,38)(H2,30,40)(H,31,41)(H,32,36)(H,33,39)(H,34,43)(H,35,42)/t17-,18-,19-,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Inhibitory activity against human Cathepsin L


J Med Chem 45: 5321-9 (2002)


Article DOI: 10.1021/jm020238t
BindingDB Entry DOI: 10.7270/Q23B5ZH6
More data for this
Ligand-Target Pair