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2 similar compounds to monomer 50066996

Wt: 239.2
BDBM50066998
Wt: 301.3
BDBM50067002

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50066998,50067002   
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))
BDBM50067002
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1
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PubMed
n/an/a 47n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 40 min.


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50066998
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12
Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of cathepsin G with a preincubation time of 15 min


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50066998
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12
Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1
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PubMed
n/an/a 69n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 15 min.


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50067002
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of cathepsin G with a preincubation time of 15 min.


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50066998
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12
Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhition of thrombin with a preincubation time of 15 min.


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50067002
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1
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PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhition of thrombin with a preincubation time of 15 min


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50067002
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1
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n/an/a 336n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human neutrophil elastase enzyme with a preincubation time of 0 min.


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50067002
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES C=CC[C@@H]1C2[C@H](CCN2C(=O)OCc2ccccc2)OC1=O
Show InChI InChI=1S/C17H19NO4/c1-2-6-13-15-14(22-16(13)19)9-10-18(15)17(20)21-11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2/t13-,14+,15?/m1/s1
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n/an/a 1.59E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhition of Chymotrypsinogen with a preincubation time of 15 min


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50066998
PNG
((3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrol...)
Show SMILES CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12
Show InChI InChI=1S/C12H17NO4/c1-3-5-8-10-9(17-11(8)14)6-7-13(10)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3/t8-,9+,10?/m1/s1
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Chymotrypsinogen with a preincubation time of 15 min


J Med Chem 41: 3919-22 (1998)

More data for this
Ligand-Target Pair