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Compile Data Set for Download or QSAR

Found 22 hits of ph data with Target = 'Urea Amidohydrolase'   
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
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24969
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)
PDB
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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
170 -39.3 1.80E+3n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24969
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O4PS/c1-19(17,20)9-14-11(15)7-13-12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,20)
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PC sid
UniChem
Article
PubMed
450 -36.8 3.10E+3n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24971
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfan...)
Show SMILES CP(O)(=S)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO3PS/c1-15(13,16)8-11-10(12)14-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,16)
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UniChem
Article
PubMed
1.40E+4 -28.2 1.58E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24971
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfan...)
Show SMILES CP(O)(=S)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO3PS/c1-15(13,16)8-11-10(12)14-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,16)
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PC cid
PC sid
UniChem
Article
PubMed
1.75E+4 -27.6 1.12E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24967
PNG
(methyl[(methylamino)methyl]phosphinic acid | organ...)
Show SMILES CN=CP(C)(O)O
Show InChI InChI=1S/C3H10NO2P/c1-4-3-7(2,5)6/h3,5-7H,1-2H3
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UniChem
Article
PubMed
1.80E+4 -27.5 6.00E+4n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24962
PNG
([(2-aminoacetamido)methyl](methyl)phosphinic acid ...)
Show SMILES CP(O)(=O)CNC(=O)CN
Show InChI InChI=1S/C4H11N2O3P/c1-10(8,9)3-6-4(7)2-5/h2-3,5H2,1H3,(H,6,7)(H,8,9)
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PC cid
PC sid
UniChem
Article
PubMed
2.10E+4 -27.1 6.00E+4n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24965
PNG
(organophosphorus derivative, 6 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1
Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
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UniChem
Article
PubMed
2.50E+4 -26.7 8.00E+4n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24967
PNG
(methyl[(methylamino)methyl]phosphinic acid | organ...)
Show SMILES CN=CP(C)(O)O
Show InChI InChI=1S/C3H10NO2P/c1-4-3-7(2,5)6/h3,5-7H,1-2H3
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UniChem
Article
PubMed
2.70E+4 -26.5 1.53E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24962
PNG
([(2-aminoacetamido)methyl](methyl)phosphinic acid ...)
Show SMILES CP(O)(=O)CNC(=O)CN
Show InChI InChI=1S/C4H11N2O3P/c1-10(8,9)3-6-4(7)2-5/h2-3,5H2,1H3,(H,6,7)(H,8,9)
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UniChem
Article
PubMed
3.00E+4 -26.2 8.60E+4n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24965
PNG
(organophosphorus derivative, 6 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1
Show InChI InChI=1S/C12H19N2O4P/c1-19(16,17)9-14-12(15)11(13)8-18-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
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UniChem
Article
PubMed
3.26E+4 -26.0 1.83E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24966
PNG
(organophosphorus derivative, 7 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)CO
Show InChI InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
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UniChem
Article
PubMed
3.70E+4 -25.7 1.50E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24966
PNG
(organophosphorus derivative, 7 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)CO
Show InChI InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
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UniChem
Article
PubMed
4.10E+4 -25.5 3.42E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24968
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...)
Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
PDB
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UniChem

Patents

Article
PubMed
4.30E+4 -25.3 1.23E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24968
PNG
(({[(benzyloxy)carbonyl]amino}methyl)(methyl)phosph...)
Show SMILES CP(O)(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C10H14NO4P/c1-16(13,14)8-11-10(12)15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)(H,13,14)
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PubMed
6.50E+4 -24.3 3.19E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24963
PNG
(organophosphorus derivative, 4 | {[(2S)-2-amino-3-...)
Show SMILES CC(C)[C@H](N)C(=O)NCP(C)(O)=O
Show InChI InChI=1S/C7H17N2O3P/c1-5(2)6(8)7(10)9-4-13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1
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UniChem
Article
PubMed
1.20E+5 -22.8 4.85E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24970
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O5P/c1-20(17,18)9-14-11(15)7-13-12(16)19-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,18)
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UniChem
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PubMed
1.35E+5 -22.5 4.50E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24964
PNG
(organophosphorus derivative, 5 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H17N2O3P/c1-17(15,16)8-13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
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UniChem
Article
PubMed
1.76E+5 -21.8 7.54E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24970
PNG
([(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](...)
Show SMILES CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C12H17N2O5P/c1-20(17,18)9-14-11(15)7-13-12(16)19-8-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)(H,14,15)(H,17,18)
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UniChem
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1.78E+5 -21.8 6.40E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24963
PNG
(organophosphorus derivative, 4 | {[(2S)-2-amino-3-...)
Show SMILES CC(C)[C@H](N)C(=O)NCP(C)(O)=O
Show InChI InChI=1S/C7H17N2O3P/c1-5(2)6(8)7(10)9-4-13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1
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UniChem
Article
PubMed
2.08E+5 -21.4 6.17E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24964
PNG
(organophosphorus derivative, 5 | {[(2S)-2-amino-3-...)
Show SMILES CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H17N2O3P/c1-17(15,16)8-13-11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
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2.15E+5 -21.3 6.00E+5n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Bacillus pasteurii)
BDBM24960
PNG
((aminomethyl)(methyl)phosphinic acid | organophosp...)
Show SMILES CP(O)(O)C=N
Show InChI InChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-6H,1H3
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UniChem

Patents

Article
PubMed
3.40E+5 -20.1 1.10E+6n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair
Urea Amidohydrolase


(Proteus vulgaris)
BDBM24960
PNG
((aminomethyl)(methyl)phosphinic acid | organophosp...)
Show SMILES CP(O)(O)C=N
Show InChI InChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-6H,1H3
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PubMed
4.25E+5 -19.6 2.53E+6n/an/an/an/a7.030



Wroclaw University of Technology



Assay Description
Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrati...


J Med Chem 51: 5736-44 (2008)


Article DOI: 10.1021/jm800570q
BindingDB Entry DOI: 10.7270/Q2PR7T91
More data for this
Ligand-Target Pair