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BDBM50014744 3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-propionyl}-pyrrolidine-2-carbonyl)-amino]-2-oxo-butyric acid::CHEMBL335981

SMILES: C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O

InChI Key: InChIKey=ZMIWAKUMMBGJMQ-IMIFBBOLSA-N

Data: 2 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014744   
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))
BDBM50014744
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O
Show InChI InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
690n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against porcine pancreatic Elastase


J Med Chem 33: 394-407 (1990)


Article DOI: 10.1021/jm00163a063
BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50014744
PNG
(3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O
Show InChI InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Neutrophil Elastase


J Med Chem 33: 394-407 (1990)


Article DOI: 10.1021/jm00163a063
BindingDB Entry DOI: 10.7270/Q26D5RZ5
More data for this
Ligand-Target Pair