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PDB code 2BYA

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin

  (243/243 = 100%)
(Bos taurus (bovine))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
4.80E+3 -30.1n/an/an/an/an/a7.422



Axys Pharmaceuticals Corporation



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 307: 1451-86 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin

  (243/243 = 100%)
(Bos taurus (bovine))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
PubMed
2.10E+4 -26.4n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin

  (243/243 = 100%)
(Bos taurus (bovine))
BDBM772
PNG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Show SMILES NC(=[NH2+])c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
3.90E+4 -25.2n/an/an/an/an/a8.025



Max-Planck-Institut fuer Biochemie



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...


J Mol Biol 301: 465-75 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Identical Ligands in BindingDB

Found 4 hits Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.9-9.91-174.79820.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.7-5.40-21.44.61830



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.7-3.01-23.74.49837.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.6-7.69-18.94.65825.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)


Similar Ligands in BindingDB*

Found 4 hits Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.9-9.91-174.79820.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.7-5.40-21.44.61830



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.7-3.01-23.74.49837.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Trypsin  (243/243 = 100%)

(Bos taurus (bovine))
BDBM772
JPEG
(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-26.6-7.69-18.94.65825.1



University of Groningen





J Am Chem Soc 125: 10570-9 (2003)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output