new BindingDB logo
myBDB logout

BDBM50014747 3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-2-oxo-butyric acid methyl ester::CHEMBL131780

SMILES: COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O

InChI Key: InChIKey=BJBWAJBJZYBYIT-JURCDPSOSA-N

Data: 2 KI

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 2 hits for monomerid = 50014747   
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
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50014747
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C20H30N4O7/c1-11(16(26)20(30)31-4)21-18(28)15-8-6-10-24(15)19(29)12(2)22-17(27)14-7-5-9-23(14)13(3)25/h11-12,14-15H,5-10H2,1-4H3,(H,21,28)(H,22,27)/t11-,12-,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
29n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat Cathepsin G


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
BDBM50014747
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C20H30N4O7/c1-11(16(26)20(30)31-4)21-18(28)15-8-6-10-24(15)19(29)12(2)22-17(27)14-7-5-9-23(14)13(3)25/h11-12,14-15H,5-10H2,1-4H3,(H,21,28)(H,22,27)/t11-,12-,14-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
850n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase


J Med Chem 33: 394-407 (1990)


BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair