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PubMed code 24495281

Compile data set for download or QSAR
Found 22 hits of 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
Urease


(Canavalia ensiformis (Jack bean))
BDBM123737
PNG
(2-(4-Nitrophenyl)amino-5-(1-(4-bromophenoxy)propyl...)
Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C17H15BrN4O4/c1-2-15(25-14-9-3-11(18)4-10-14)16-20-21-17(26-16)19-12-5-7-13(8-6-12)22(23)24/h3-10,15H,2H2,1H3,(H,19,21)
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PubMed
n/an/a 6.03E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123723
PNG
(2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...)
Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C16H13BrFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
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PubMed
n/an/a 6.21E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123736
PNG
(2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)prop...)
Show SMILES CCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)
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PubMed
n/an/a 7.42E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123734
PNG
(2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)propy...)
Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C17H15BrFN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)
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PubMed
n/an/a 7.65E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123735
PNG
(2-(4-Fluorophenyl)amino-5-(1-(3,4-dichlorophenoxy)...)
Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C17H14Cl2FN3O2/c1-2-15(24-12-7-8-13(18)14(19)9-12)16-22-23-17(25-16)21-11-5-3-10(20)4-6-11/h3-9,15H,2H2,1H3,(H,21,23)
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PubMed
n/an/a 8.02E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123719
PNG
(2-(4-Methylphenyl)amino-5-(1-(4-methylphenoxy)ethy...)
Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21)
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PubMed
n/an/a 9.82E+3n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123730
PNG
(2-(4-Chlorophenyl)amino-5-(1-(4-methylphenoxy)ethy...)
Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)
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PubMed
n/an/a 1.15E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123727
PNG
(2-(4-Chlorophenyl)amino-5-(1-(4-bromophenoxy)ethyl...)
Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H13BrClN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
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n/an/a 1.16E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123726
PNG
(2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)ethy...)
Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)
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PubMed
n/an/a 1.24E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM110174
PNG
((2-chlorophenyl)thiourea | Thiourea)
Show SMILES NC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
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n/an/a 2.20E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123717
PNG
(2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethy...)
Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C17H16ClN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)
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n/an/a 2.62E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123728
PNG
(2-(4-Chlorophenyl)amino-5-(1-(4-chlorophenoxy)ethy...)
Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H13Cl2N3O2/c1-10(22-14-8-4-12(18)5-9-14)15-20-21-16(23-15)19-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,19,21)
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n/an/a 3.32E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123718
PNG
(2-(4-Methylphenyl)amino-5-(1-(4-bromophenoxy)ethyl...)
Show SMILES CC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C17H16BrN3O2/c1-11-3-7-14(8-4-11)19-17-21-20-16(23-17)12(2)22-15-9-5-13(18)6-10-15/h3-10,12H,1-2H3,(H,19,21)
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n/an/a 3.35E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123733
PNG
(2-(4-Bromophenyl)amino-5-(1-(4-methylphenoxy)ethyl...)
Show SMILES CC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(Br)cc2)o1
Show InChI InChI=1S/C17H16BrN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)
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n/an/a 3.58E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123720
PNG
(2-(4-Methylphenyl)amino-5-(1-(3,4-dichlorophenoxy)...)
Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C17H15Cl2N3O2/c1-10-3-5-12(6-4-10)20-17-22-21-16(24-17)11(2)23-13-7-8-14(18)15(19)9-13/h3-9,11H,1-2H3,(H,20,22)
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n/an/a 4.10E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123729
PNG
(2-(4-Chlorophenyl)amino-5-(1-(3,4-dichlorophenoxy)...)
Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H12Cl3N3O2/c1-9(23-12-6-7-13(18)14(19)8-12)15-21-22-16(24-15)20-11-4-2-10(17)3-5-11/h2-9H,1H3,(H,20,22)
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n/an/a 4.28E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123725
PNG
(2-(4-Fluorophenyl)amino)-5-(1-(3,4-dichlorophenoxy...)
Show SMILES CC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C16H12Cl2FN3O2/c1-9(23-12-6-7-13(17)14(18)8-12)15-21-22-16(24-15)20-11-4-2-10(19)3-5-11/h2-9H,1H3,(H,20,22)
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n/an/a 4.53E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123732
PNG
(2-(4-Bromophenyl)amino-5-(1-(4-bromophenoxy)propyl...)
Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Br)cc2)o1
Show InChI InChI=1S/C17H15Br2N3O2/c1-2-15(23-14-9-5-12(19)6-10-14)16-21-22-17(24-16)20-13-7-3-11(18)4-8-13/h3-10,15H,2H2,1H3,(H,20,22)
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n/an/a 4.55E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123724
PNG
(2-(4-Fluorophenyl)amino-5-(1-(4-chlorophenoxy)ethy...)
Show SMILES CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C16H13ClFN3O2/c1-10(22-14-8-2-11(17)3-9-14)15-20-21-16(23-15)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
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n/an/a 4.59E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123721
PNG
(2-(4-Methylphenyl)amino-5-(1-(4-bromophenoxy)propy...)
Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C18H18BrN3O2/c1-3-16(23-15-10-6-13(19)7-11-15)17-21-22-18(24-17)20-14-8-4-12(2)5-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)
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n/an/a 4.74E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123722
PNG
(2-(4-Methylphenyl)amino-5-(1-(3,4-dichlorophenoxy)...)
Show SMILES CCC(Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(C)cc2)o1
Show InChI InChI=1S/C18H17Cl2N3O2/c1-3-16(24-13-8-9-14(19)15(20)10-13)17-22-23-18(25-17)21-12-6-4-11(2)5-7-12/h4-10,16H,3H2,1-2H3,(H,21,23)
PDB
MMDB

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.74E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean))
BDBM123731
PNG
(2-(4-Chlorophenyl)amino-5-(1-(4-methylphenoxy)ethy...)
Show SMILES CCC(Oc1ccc(Br)cc1)c1nnc(Nc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C17H15BrClN3O2/c1-2-15(23-14-9-3-11(18)4-10-14)16-21-22-17(24-16)20-13-7-5-12(19)6-8-13/h3-10,15H,2H2,1H3,(H,20,22)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.72E+4n/an/an/an/an/a30



Mirpur University of Science and Technology (MUST)



Assay Description
The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...


Chem Biol Drug Des 84: 92-8 (2014)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2SB44F6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%