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BDBM50014746 3-({1-[2-(3-Methoxycarbonyl-propionylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-2-oxo-4-phenyl-butyric acid methyl ester::CHEMBL130656

SMILES: COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC

InChI Key: InChIKey=CCUSXDIMFHXKJJ-IPJJNNNSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014746   
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 G


(Homo sapiens (Human))
BDBM50014746
PNG
(3-({1-[2-(3-Methoxycarbonyl-propionylamino)-3-meth...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OC
Show InChI InChI=1S/C26H35N3O8/c1-16(2)22(28-20(30)12-13-21(31)36-3)25(34)29-14-8-11-19(29)24(33)27-18(23(32)26(35)37-4)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19,22H,8,11-15H2,1-4H3,(H,27,33)(H,28,30)/t18-,19-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Cathepsin G


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair