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BDBM50068284 3-Benzyloxycarbonylamino-propionic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL344560

SMILES: O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=XGQXZQMZRZTGMF-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50068284   
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
Trypsin II


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against trypsin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
PDB
MMDB

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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against plasmin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against urokinase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against Coagulation factor X


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
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UniChem
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n/an/a 2.26E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against human leukocyte elastase.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50068284
PNG
(3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...)
Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity was measured against thrombin.


J Med Chem 41: 4854-60 (1998)


Article DOI: 10.1021/jm9804580
BindingDB Entry DOI: 10.7270/Q21N8083
More data for this
Ligand-Target Pair