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BDBM50426168 CHEMBL2316303

SMILES: CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(Br)cc1)C=O

InChI Key: InChIKey=UEDKSAKLZBMNMA-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426168   
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 K


(Homo sapiens (human))
BDBM50426168
PNG
(CHEMBL2316303)
Show SMILES CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(Br)cc1)C=O
Show InChI InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)
PDB
MMDB

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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K (unknown origin)


J Med Chem 56: 1478-90 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)