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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'osborn' and Initial = 'hm'   
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
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074672
PNG
((R)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pent...)
Show SMILES COc1ccc(SC(=O)N[C@H](CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1
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300n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074680
PNG
(2-p-Tolylsulfanylcarbonylamino-pentanedioic acid |...)
Show SMILES Cc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C13H15NO5S/c1-8-2-4-9(5-3-8)20-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)
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1.05E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074674
PNG
(2-(3-Methoxy-phenylsulfanylcarbonylamino)-pentaned...)
Show SMILES COc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1
Show InChI InChI=1S/C13H15NO6S/c1-20-8-3-2-4-9(7-8)21-13(19)14-10(12(17)18)5-6-11(15)16/h2-4,7,10H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)
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1.07E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074673
PNG
(2-(3-Amino-phenylsulfanylcarbonylamino)-pentanedio...)
Show SMILES Nc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1
Show InChI InChI=1S/C12H14N2O5S/c13-7-2-1-3-8(6-7)20-12(19)14-9(11(17)18)4-5-10(15)16/h1-3,6,9H,4-5,13H2,(H,14,19)(H,15,16)(H,17,18)
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2.50E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074679
PNG
(2-(4-Amino-phenylsulfanylcarbonylamino)-pentanedio...)
Show SMILES Nc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C12H14N2O5S/c13-7-1-3-8(4-2-7)20-12(19)14-9(11(17)18)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,19)(H,15,16)(H,17,18)
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5.80E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353068
PNG
(CHEMBL1822735)
Show SMILES CO[C@@H]1CN(O)C[C@@H](CO)O1 |r|
Show InChI InChI=1S/C6H13NO4/c1-10-6-3-7(9)2-5(4-8)11-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
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2.02E+4n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353064
PNG
(CHEMBL1822731)
Show SMILES CO[C@@H]1CN(C)C[C@@H](CO)O1 |r|
Show InChI InChI=1S/C7H15NO3/c1-8-3-6(5-9)11-7(4-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
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1.26E+5n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074678
PNG
(2-(1-Oxy-pyridin-4-ylsulfanylcarbonylamino)-pentan...)
Show SMILES OC(=O)CCC(NC(=O)Sc1cc[n+]([O-])cc1)C(O)=O
Show InChI InChI=1S/C11H12N2O6S/c14-9(15)2-1-8(10(16)17)12-11(18)20-7-3-5-13(19)6-4-7/h3-6,8H,1-2H2,(H,12,18)(H,14,15)(H,16,17)
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1.65E+5n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)


Article DOI: 10.1021/jm990004i
BindingDB Entry DOI: 10.7270/Q2J965KN
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM50353062
PNG
(CHEMBL1821739)
Show SMILES OCCN1CCOCC1
Show InChI InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
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PubMed
6.20E+5n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human beta-glucosidase by Michaelis-Menten kinetics analysis


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (Human))
BDBM50353063
PNG
(CHEMBL1822915)
Show SMILES OCCC(O)CN1CCOCC1
Show InChI InChI=1S/C8H17NO3/c10-4-1-8(11)7-9-2-5-12-6-3-9/h8,10-11H,1-7H2
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6.40E+5n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human beta-glucosidase by Michaelis-Menten kinetics analysis


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353068
PNG
(CHEMBL1822735)
Show SMILES CO[C@@H]1CN(O)C[C@@H](CO)O1 |r|
Show InChI InChI=1S/C6H13NO4/c1-10-6-3-7(9)2-5(4-8)11-6/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353067
PNG
(CHEMBL1822734)
Show SMILES CCCCCCCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
Show InChI InChI=1S/C14H29NO3/c1-3-4-5-6-7-8-9-15-10-13(12-16)18-14(11-15)17-2/h13-14,16H,3-12H2,1-2H3/t13-,14-/m0/s1
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n/an/a 5.51E+4n/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353066
PNG
(CHEMBL1822733)
Show SMILES CCCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
Show InChI InChI=1S/C10H21NO3/c1-3-4-5-11-6-9(8-12)14-10(7-11)13-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
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n/an/a 7.03E+4n/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353065
PNG
(CHEMBL1822732)
Show SMILES CCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
Show InChI InChI=1S/C9H19NO3/c1-3-4-10-5-8(7-11)13-9(6-10)12-2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m0/s1
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n/an/a 7.55E+4n/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353064
PNG
(CHEMBL1822731)
Show SMILES CO[C@@H]1CN(C)C[C@@H](CO)O1 |r|
Show InChI InChI=1S/C7H15NO3/c1-8-3-6(5-9)11-7(4-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
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n/an/a 8.86E+4n/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
More data for this
Ligand-Target Pair