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BDBM50014736 (1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidin-1-yl]-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester::CHEMBL337396

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=FFGHWNROQYNCDG-AJNGGQMLSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic elastase


(Sus scrofa (Pig))
BDBM50014736
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H35F3N4O6/c1-11(2)15(16(30)22(23,24)25)28-18(32)14-9-8-10-29(14)19(33)13(4)26-17(31)12(3)27-20(34)35-21(5,6)7/h11-15H,8-10H2,1-7H3,(H,26,31)(H,27,34)(H,28,32)/t12-,13-,14-,15-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for porcine 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
Elastase 1


(Homo sapiens (Human))
BDBM50014736
PNG
((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H35F3N4O6/c1-11(2)15(16(30)22(23,24)25)28-18(32)14-9-8-10-29(14)19(33)13(4)26-17(31)12(3)27-20(34)35-21(5,6)7/h11-15H,8-10H2,1-7H3,(H,26,31)(H,27,34)(H,28,32)/t12-,13-,14-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
44n/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)


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