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BDBM50061055 CHEMBL107993::CHEMBL306105::{(S)-1-[(S)-2-((S)-4-Amino-3,3-difluoro-1-isopropyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN

InChI Key: InChIKey=LCAIRYPZVCLRKX-UFYCRDLUSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50061055   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061055
PNG
(CHEMBL107993 | CHEMBL306105 | {(S)-1-[(S)-2-((S)-4...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN
Show InChI InChI=1S/C25H36F2N4O5/c1-15(2)19(21(32)25(26,27)14-28)29-22(33)18-11-8-12-31(18)23(34)20(16(3)4)30-24(35)36-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-20H,8,11-14,28H2,1-4H3,(H,29,33)(H,30,35)/t18-,19-,20-/m0/s1
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PC cid
PC sid
UniChem
Article
130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase was determined


Bioorg Med Chem Lett 4: 2175-2178 (1994)


Article DOI: 10.1016/S0960-894X(00)80066-9
BindingDB Entry DOI: 10.7270/Q2B56JP9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50061055
PNG
(CHEMBL107993 | CHEMBL306105 | {(S)-1-[(S)-2-((S)-4...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN
Show InChI InChI=1S/C25H36F2N4O5/c1-15(2)19(21(32)25(26,27)14-28)29-22(33)18-11-8-12-31(18)23(34)20(16(3)4)30-24(35)36-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-20H,8,11-14,28H2,1-4H3,(H,29,33)(H,30,35)/t18-,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human leukocyte elastase


J Med Chem 40: 3173-81 (1997)


Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85
More data for this
Ligand-Target Pair