BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)N1CC[C@@H]2OC(=O)[C@H](CC=C)C12

InChI Key: InChIKey=HVBZENRYJFPJCR-ZDGBYWQASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50066998   
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
Cathepsin G


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm981026s
BindingDB Entry DOI: 10.7270/Q2X34WMC
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm981026s
BindingDB Entry DOI: 10.7270/Q2X34WMC
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
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)


Article DOI: 10.1021/jm981026s
BindingDB Entry DOI: 10.7270/Q2X34WMC
More data for this
Ligand-Target Pair
Neutrophil 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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
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)


Article DOI: 10.1021/jm981026s
BindingDB Entry DOI: 10.7270/Q2X34WMC
More data for this
Ligand-Target Pair