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BDBM50284205 2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa-1,7-diaza-indene-4,6-dione::CHEMBL174956

SMILES: Cc1c(C)c2c(O)oc(=O)nc2n1CCCc1ccccc1

InChI Key: InChIKey=KGGJQHJXZKQZIQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50284205   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50284205
PNG
(2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c1-11-12(2)19(10-6-9-13-7-4-3-5-8-13)15-14(11)16(20)22-17(21)18-15/h3-5,7-8,20H,6,9-10H2,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 8.95E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate;No Inhibition


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50284205
PNG
(2,3-Dimethyl-1-(3-phenyl-propyl)-1,7-dihydro-5-oxa...)
Show SMILES Cc1c(C)c2c(O)oc(=O)nc2n1CCCc1ccccc1
Show InChI InChI=1S/C17H18N2O3/c1-11-12(2)19(10-6-9-13-7-4-3-5-8-13)15-14(11)16(20)22-17(21)18-15/h3-5,7-8,20H,6,9-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.22E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine chymotrypsin.


Bioorg Med Chem Lett 4: 949-954 (1994)


Article DOI: 10.1016/S0960-894X(01)80270-5
BindingDB Entry DOI: 10.7270/Q27W6C4C
More data for this
Ligand-Target Pair