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3 similar compounds to monomer 50289012

Wt: 223.2
BDBM50077011
Purchase
Wt: 349.1
BDBM50289014
Wt: 275.6
BDBM50321748

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50077011,50289014,50321748   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50077011
PNG
(2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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Article
PubMed
8.70E+3n/an/an/an/an/an/an/an/a



University of Karachi



Assay Description
The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)...


Bioorg Chem 70: 210-221 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50077011
PNG
(2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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PubMed
9.55E+3n/an/an/an/an/an/an/an/a



Università degli Studi di L'Aquila

Curated by ChEMBL


Assay Description
pKi against human leukocyte elastase (HLE)


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50077011
PNG
(2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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1.00E+4n/an/an/an/an/a 1.00E+4n/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50321748
PNG
(5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...)
Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
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Article
PubMed
n/an/a 30.8n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 2 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)

More data for this
Ligand-Target Pair
Complement C1r


(Homo sapiens (Human))
BDBM50289014
PNG
(2-(4-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccc(cc1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
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n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50321748
PNG
(5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...)
Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H
PDB
MMDB

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Article
PubMed
n/an/a 52.7n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase after 30 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)

More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50289014
PNG
(2-(4-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES Ic1ccc(cc1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8INO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
PDB
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n/an/a>6.25E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against C1r serine protease


Bioorg Med Chem Lett 6: 679-682 (1996)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50077011
PNG
(2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



University of Karachi



Assay Description
The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ...


Bioorg Chem 70: 210-221 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50077011
PNG
(2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Università degli Studi di L'Aquila

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE)


Citation and Details
More data for this
Ligand-Target Pair