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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'chaudhry' and Initial = 'f'   
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) (Horse bean))		BDBM50123230
PNG
(CHEMBL3622691)
Show SMILES Cc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;8.8,-.29,;9.49,.73,;9.35,-1.4,;10.03,-.38,)|
Show InChI InChI=1S/C37H26F3N3/c1-24-16-22-29(23-17-24)43-35(27-12-6-3-7-13-27)34(25-10-4-2-5-11-25)42-36(43)32-30-14-8-9-15-31(30)41-33(32)26-18-20-28(21-19-26)37(38,39)40/h2-23,41H,1H3
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n/an/a 120n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123347
PNG
(CHEMBL3622680)
Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(Br)cc12)-c1ccccc1 |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C35H23Br2N3/c36-26-16-19-28(20-17-26)40-34(25-14-8-3-9-15-25)33(24-12-6-2-7-13-24)39-35(40)31-29-22-27(37)18-21-30(29)38-32(31)23-10-4-1-5-11-23/h1-22,38H
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n/an/a 150n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123229
PNG
(CHEMBL3622693)
Show SMILES Fc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;8.8,-.29,;9.49,.73,;9.35,-1.4,;10.03,-.38,)|
Show InChI InChI=1S/C36H23F4N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H
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n/an/a 160n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123235
PNG
(CHEMBL3622686)
Show SMILES Clc1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(8.5,-.27,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)|
Show InChI InChI=1S/C35H24ClN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H
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n/an/a 370n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123236
PNG
(CHEMBL3622685)
Show SMILES Fc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(Cl)cc1 |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;8.5,-.27,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C35H23ClFN3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H
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n/an/a 440n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231687
PNG
(6-Bromo-3-(4-(1-(4-chlorophenyl)-4,5-diphenyl-1H-i...)
Show SMILES Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C39H24BrClN4O2/c40-28-16-21-34-27(22-28)23-32(39(46)47-34)36-33(24-44(43-36)30-14-8-3-9-15-30)38-42-35(25-10-4-1-5-11-25)37(26-12-6-2-7-13-26)45(38)31-19-17-29(41)18-20-31/h1-24H
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n/an/a 2.53E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222221
PNG
(3-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-1H-p...)
Show SMILES O=c1oc2ccccc2cc1-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H22N4O2/c38-33-26(20-24-16-10-11-19-28(24)39-33)31-27(21-37(36-31)25-17-8-3-9-18-25)32-34-29(22-12-4-1-5-13-22)30(35-32)23-14-6-2-7-15-23/h1-21H,(H,34,35)
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222222
PNG
(6-Bromo-3-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phe...)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H21BrN4O2/c34-24-16-17-28-23(18-24)19-26(33(39)40-28)31-27(20-38(37-31)25-14-8-3-9-15-25)32-35-29(21-10-4-1-5-11-21)30(36-32)22-12-6-2-7-13-22/h1-20H,(H,35,36)
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n/an/a 2.95E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123314
PNG
(CHEMBL3622682)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(Br)cc12)-c1ccccc1 |(-5.15,5.9,;-4.69,4.76,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C36H26BrN3O/c1-41-29-20-18-28(19-21-29)40-35(26-15-9-4-10-16-26)34(25-13-7-3-8-14-25)39-36(40)32-30-23-27(37)17-22-31(30)38-33(32)24-11-5-2-6-12-24/h2-23,38H,1H3
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n/an/a 4.62E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123315
PNG
(CHEMBL3622681)
Show SMILES Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(Br)cc12)-c1ccccc1 |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C35H23BrClN3/c36-26-16-21-30-29(22-26)31(32(38-30)23-10-4-1-5-11-23)35-39-33(24-12-6-2-7-13-24)34(25-14-8-3-9-15-25)40(35)28-19-17-27(37)18-20-28/h1-22,38H
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n/an/a 4.66E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123228
PNG
(CHEMBL3622694)
Show SMILES FC(F)(F)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccc(Cl)cc1)-c1ccccc1 |(9.49,.73,;8.8,-.29,;9.35,-1.4,;10.03,-.38,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-4.39,4.71,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)|
Show InChI InChI=1S/C36H23ClF3N3/c37-27-19-21-28(22-20-27)43-34(25-11-5-2-6-12-25)33(23-9-3-1-4-10-23)42-35(43)31-29-13-7-8-14-30(29)41-32(31)24-15-17-26(18-16-24)36(38,39)40/h1-22,41H
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n/an/a 4.75E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123234
PNG
(CHEMBL3622687)
Show SMILES Brc1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(8.5,-.27,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)|
Show InChI InChI=1S/C35H24BrN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231691
PNG
(6-Bromo-3-(4-(1-(4-bromophenyl)-4,5-diphenyl-1H-im...)
Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C39H24Br2N4O2/c40-28-16-19-31(20-17-28)45-37(26-12-6-2-7-13-26)35(25-10-4-1-5-11-25)42-38(45)33-24-44(30-14-8-3-9-15-30)43-36(33)32-23-27-22-29(41)18-21-34(27)47-39(32)46/h1-24H
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n/an/a 5.21E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231688
PNG
(6-Bromo-3-(4-(1-(3,5-dimethylphenyl)-4,5-diphenyl-...)
Show SMILES Cc1cc(C)cc(c1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=C(Br)C=CC2OC1=O)-c1ccccc1 |c:41,t:35,38|
Show InChI InChI=1S/C41H31BrN4O2/c1-26-20-27(2)22-33(21-26)46-39(29-14-8-4-9-15-29)37(28-12-6-3-7-13-28)43-40(46)35-25-45(32-16-10-5-11-17-32)44-38(35)34-24-30-23-31(42)18-19-36(30)48-41(34)47/h3-25,30,36H,1-2H3
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n/an/a 5.64E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231690
PNG
(6-Bromo-3-(4-(4,5-diphenyl-1-(p-tolyl)-1H-imidazol...)
Show SMILES Cc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C40H27BrN4O2/c1-26-17-20-32(21-18-26)45-38(28-13-7-3-8-14-28)36(27-11-5-2-6-12-27)42-39(45)34-25-44(31-15-9-4-10-16-31)43-37(34)33-24-29-23-30(41)19-22-35(29)47-40(33)46/h2-25H,1H3
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n/an/a 5.83E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222219
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-1-(4-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-16-24(17-19-25)34-20-26(27(33-34)21-10-4-1-5-11-21)30-31-28(22-12-6-2-7-13-22)29(32-30)23-14-8-3-9-15-23/h1-20H,(H,31,32)
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n/an/a 7.81E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231689
PNG
(6-Bromo-3-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1Hi...)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C40H27BrN4O3/c1-47-32-20-18-31(19-21-32)45-38(27-13-7-3-8-14-27)36(26-11-5-2-6-12-26)42-39(45)34-25-44(30-15-9-4-10-16-30)43-37(34)33-24-28-23-29(41)17-22-35(28)48-40(33)46/h2-25H,1H3
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n/an/a 9.27E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123233
PNG
(CHEMBL3622688)
Show SMILES Brc1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccc(Br)cc1)-c1ccccc1 |(8.5,-.27,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-4.39,4.71,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)|
Show InChI InChI=1S/C35H23Br2N3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222214
PNG
(3-(4-Bromophenyl)-4-(4,5-diphenyl-1H-imidazol-2-yl...)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21BrN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123232
PNG
(CHEMBL3622689)
Show SMILES Fc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(Br)cc1 |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;8.5,-.27,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C35H23BrFN3/c36-26-17-15-24(16-18-26)32-31(29-13-7-8-14-30(29)38-32)35-39-33(23-9-3-1-4-10-23)34(25-11-5-2-6-12-25)40(35)28-21-19-27(37)20-22-28/h1-22,38H
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231682
PNG
(3-(4-(1-(4-Chlorophenyl)-4,5-diphenyl-1H-imidazol-...)
Show SMILES Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:37,39,t:34|
Show InChI InChI=1S/C39H27ClN4O2/c40-29-20-22-31(23-21-29)44-37(27-14-6-2-7-15-27)35(26-12-4-1-5-13-26)41-38(44)33-25-43(30-17-8-3-9-18-30)42-36(33)32-24-28-16-10-11-19-34(28)46-39(32)45/h1-25,28,34H
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n/an/a 1.27E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222217
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(3-nitrophenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-10-15-23(19-25)27-26(20-34(33-27)24-16-8-3-9-17-24)30-31-28(21-11-4-1-5-12-21)29(32-30)22-13-6-2-7-14-22/h1-20H,(H,31,32)
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222213
PNG
(3-(4-Chlorophenyl)-4-(4,5-diphenyl-1H-imidazol-2-y...)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21ClN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222218
PNG
(3-([1,1'-Biphenyl]-4-yl)-4-(4,5-diphenyl-1H-im...)
Show SMILES c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H26N4/c1-5-13-26(14-6-1)27-21-23-30(24-22-27)33-32(25-40(39-33)31-19-11-4-12-20-31)36-37-34(28-15-7-2-8-16-28)35(38-36)29-17-9-3-10-18-29/h1-25H,(H,37,38)
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222282
PNG
(N-(3-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-7-6-13(18-19-14)17-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 1.93E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222215
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(4-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-16-23(17-19-25)27-26(20-34(33-27)24-14-8-3-9-15-24)30-31-28(21-10-4-1-5-11-21)29(32-30)22-12-6-2-7-13-22/h1-20H,(H,31,32)
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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n/an/a 2.13E+4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222220
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3,5-dimethyl-1-(...)
Show SMILES Cc1nn(c(C)c1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H21N5O2/c1-17-23(18(2)30(29-17)21-13-15-22(16-14-21)31(32)33)26-27-24(19-9-5-3-6-10-19)25(28-26)20-11-7-4-8-12-20/h3-16H,1-2H3,(H,27,28)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222212
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-1,3-diphenyl-1H-...)
Show SMILES c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22N4/c1-5-13-22(14-6-1)27-26(21-34(33-27)25-19-11-4-12-20-25)30-31-28(23-15-7-2-8-16-23)29(32-30)24-17-9-3-10-18-24/h1-21H,(H,31,32)
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n/an/a 2.22E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222216
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H24N4O/c1-36-26-19-17-24(18-20-26)28-27(21-35(34-28)25-15-9-4-10-16-25)31-32-29(22-11-5-2-6-12-22)30(33-31)23-13-7-3-8-14-23/h2-21H,1H3,(H,32,33)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231684
PNG
(3-(4-(1-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:38,40,t:35|
Show InChI InChI=1S/C40H30N4O3/c1-46-32-23-21-31(22-24-32)44-38(28-15-7-3-8-16-28)36(27-13-5-2-6-14-27)41-39(44)34-26-43(30-18-9-4-10-19-30)42-37(34)33-25-29-17-11-12-20-35(29)47-40(33)45/h2-26,29,35H,1H3
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n/an/a 2.54E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))		BDBM50123231
PNG
(CHEMBL3622690)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(Br)cc1 |(-5.15,5.9,;-4.69,4.76,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;8.5,-.27,;6.41,-1.46,;4.87,-1.36,)|
Show InChI InChI=1S/C36H26BrN3O/c1-41-29-22-20-28(21-23-29)40-35(26-12-6-3-7-13-26)34(24-10-4-2-5-11-24)39-36(40)32-30-14-8-9-15-31(30)38-33(32)25-16-18-27(37)19-17-25/h2-23,38H,1H3
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n/an/a 2.91E+4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins...

Eur J Med Chem 102: 464-70 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.011
BindingDB Entry DOI: 10.7270/Q2PV6N68
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231683
PNG
(3-(4-(1-(4-Bromophenyl)-4,5-diphenyl-1H-imidazol-2...)
Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:37,39,t:34|
Show InChI InChI=1S/C39H27BrN4O2/c40-29-20-22-31(23-21-29)44-37(27-14-6-2-7-15-27)35(26-12-4-1-5-13-26)41-38(44)33-25-43(30-17-8-3-9-18-30)42-36(33)32-24-28-16-10-11-19-34(28)46-39(32)45/h1-25,28,34H
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n/an/a 3.44E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 3.83E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 3.83E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 3.83E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...

Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231686
PNG
(3-(4-(4,5-Diphenyl-1-propyl-1H-imidazol-2-yl)-1-ph...)
Show SMILES CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:32,34,t:29|
Show InChI InChI=1S/C36H30N4O2/c1-2-22-39-34(26-16-8-4-9-17-26)32(25-14-6-3-7-15-25)37-35(39)30-24-40(28-19-10-5-11-20-28)38-33(30)29-23-27-18-12-13-21-31(27)42-36(29)41/h3-21,23-24,27,31H,2,22H2,1H3
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n/an/a 4.48E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231685
PNG
(3-(4-(1-(3,5-Dimethylphenyl)-4,5-diphenyl-1H-imida...)
Show SMILES Cc1cc(C)cc(c1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:38,40,t:35|
Show InChI InChI=1S/C41H32N4O2/c1-27-22-28(2)24-33(23-27)45-39(30-16-8-4-9-17-30)37(29-14-6-3-7-15-29)42-40(45)35-26-44(32-19-10-5-11-20-32)43-38(35)34-25-31-18-12-13-21-36(31)47-41(34)46/h3-26,31,36H,1-2H3
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n/an/a 4.64E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222281
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cc(C)cc(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 8.73E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222287
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitr...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
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n/an/a 8.80E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222279
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-toly...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)cc2)nn1
Show InChI InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
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n/an/a 9.36E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222278
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylp...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccccc2)nn1
Show InChI InChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
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n/an/a 9.61E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222285
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-meth...)
Show SMILES COc1ccc(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N6O3/c1-10-16(22(23)24)11(2)21(20-10)15-9-8-14(18-19-15)17-12-4-6-13(25-3)7-5-12/h4-9H,1-3H3,(H,17,18)
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n/an/a 1.12E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222280
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)c(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-5-6-14(9-11(10)2)18-15-7-8-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 1.72E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222286
PNG
(N-(2,5-Dimethoxyphenyl)-6-(3,5-dimethyl-4-nitro-1H...)
Show SMILES COc1ccc(OC)c(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
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n/an/a 2.75E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222283
PNG
(N-(4-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 3.92E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM222284
PNG
(N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyraz...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C15H13BrN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 4.29E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...

Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair