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PubMed code 27616456

Compile data set for download or QSAR
Found 21 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
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223121
PNG
((Z)-N'-(5-chloro-1-(2-fluorobenzyl)-2-oxoindol...)
Show SMILES Fc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H17ClFN3O5/c27-17-7-9-21-19(11-17)25(26(34)31(21)13-16-3-1-2-4-20(16)28)30-29-23(32)14-35-18-8-5-15-6-10-24(33)36-22(15)12-18/h1-12H,13-14H2,(H,29,32)/b30-25-
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n/an/a 2.56E+3n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223124
PNG
((Z)-N'-(5-bromo-1-(2-chlorobenzyl)-2-oxoindoli...)
Show SMILES Clc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2cc(Br)ccc12
Show InChI InChI=1S/C26H17BrClN3O5/c27-17-7-9-21-19(11-17)25(26(34)31(21)13-16-3-1-2-4-20(16)28)30-29-23(32)14-35-18-8-5-15-6-10-24(33)36-22(15)12-18/h1-12H,13-14H2,(H,29,32)/b30-25-
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Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223122
PNG
((Z)-N'-(5-chloro-1-(3-fluorobenzyl)-2-oxoindol...)
Show SMILES Fc1cccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3cc(Cl)ccc23)c1
Show InChI InChI=1S/C26H17ClFN3O5/c27-17-6-8-21-20(11-17)25(26(34)31(21)13-15-2-1-3-18(28)10-15)30-29-23(32)14-35-19-7-4-16-5-9-24(33)36-22(16)12-19/h1-12H,13-14H2,(H,29,32)/b30-25-
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Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223125
PNG
((Z)-N'-(5-bromo-1-(4-bromobenzyl)-2-oxoindolin...)
Show SMILES Brc1ccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C26H17Br2N3O5/c27-17-5-1-15(2-6-17)13-31-21-9-7-18(28)11-20(21)25(26(31)34)30-29-23(32)14-35-19-8-3-16-4-10-24(33)36-22(16)12-19/h1-12H,13-14H2,(H,29,32)/b30-25-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223118
PNG
((Z)-N'-(1-(4-bromobenzyl)-2-oxoindolin-3-ylide...)
Show SMILES Brc1ccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3ccccc23)cc1
Show InChI InChI=1S/C26H18BrN3O5/c27-18-9-5-16(6-10-18)14-30-21-4-2-1-3-20(21)25(26(30)33)29-28-23(31)15-34-19-11-7-17-8-12-24(32)35-22(17)13-19/h1-13H,14-15H2,(H,28,31)/b29-25-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223123
PNG
((Z)-N'-(1-benzyl-5-bromo-2-oxoindolin-3-yliden...)
Show SMILES Brc1ccc2N(Cc3ccccc3)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C26H18BrN3O5/c27-18-8-10-21-20(12-18)25(26(33)30(21)14-16-4-2-1-3-5-16)29-28-23(31)15-34-19-9-6-17-7-11-24(32)35-22(17)13-19/h1-13H,14-15H2,(H,28,31)/b29-25-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223117
PNG
((Z)-N'-(1-(2-chlorobenzyl)-2-oxoindolin-3-ylid...)
Show SMILES Clc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12
Show InChI InChI=1S/C26H18ClN3O5/c27-20-7-3-1-5-17(20)14-30-21-8-4-2-6-19(21)25(26(30)33)29-28-23(31)15-34-18-11-9-16-10-12-24(32)35-22(16)13-18/h1-13H,14-15H2,(H,28,31)/b29-25-
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n/an/a 7.31E+3n/an/an/an/a6.8n/a



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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223115
PNG
((Z)-N'-(1-(2-fluorobenzyl)-2-oxoindolin-3-ylid...)
Show SMILES Fc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12
Show InChI InChI=1S/C26H18FN3O5/c27-20-7-3-1-5-17(20)14-30-21-8-4-2-6-19(21)25(26(30)33)29-28-23(31)15-34-18-11-9-16-10-12-24(32)35-22(16)13-18/h1-13H,14-15H2,(H,28,31)/b29-25-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223116
PNG
((Z)-N'-(1-(3-fluorobenzyl)-2-oxoindolin-3-ylid...)
Show SMILES Fc1cccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3ccccc23)c1
Show InChI InChI=1S/C26H18FN3O5/c27-18-5-3-4-16(12-18)14-30-21-7-2-1-6-20(21)25(26(30)33)29-28-23(31)15-34-19-10-8-17-9-11-24(32)35-22(17)13-19/h1-13H,14-15H2,(H,28,31)/b29-25-
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n/an/a 9.33E+3n/an/an/an/a6.8n/a



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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223112
PNG
((Z)-N'-(5-nitro-2-oxoindolin-3-ylidene)-2-((2-...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C19H12N4O7/c24-16(9-29-12-4-1-10-2-6-17(25)30-15(10)8-12)21-22-18-13-7-11(23(27)28)3-5-14(13)20-19(18)26/h1-8H,9H2,(H,21,24)(H,20,22,26)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223109
PNG
((Z)-N'-(5-fluoro-2-oxoindolin-3-ylidene)-2-((2...)
Show SMILES Fc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C19H12FN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8H,9H2,(H,22,24)(H,21,23,26)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223114
PNG
((Z)-N'-(1-benzyl-2-oxoindolin-3-ylidene)-2-((2...)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H19N3O5/c30-23(16-33-19-12-10-18-11-13-24(31)34-22(18)14-19)27-28-25-20-8-4-5-9-21(20)29(26(25)32)15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,27,30)/b28-25-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223111
PNG
((Z)-N'-(5-bromo-2-oxoindolin-3-ylidene)-2-((2-...)
Show SMILES Brc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C19H12BrN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8H,9H2,(H,22,24)(H,21,23,26)
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n/an/a 1.42E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223119
PNG
((Z)-N'-(1-(2-fluorobenzyl)-5-methyl-2-oxoindol...)
Show SMILES Cc1ccc2N(Cc3ccccc3F)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C27H20FN3O5/c1-16-6-10-22-20(12-16)26(27(34)31(22)14-18-4-2-3-5-21(18)28)30-29-24(32)15-35-19-9-7-17-8-11-25(33)36-23(17)13-19/h2-13H,14-15H2,1H3,(H,29,32)/b30-26-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223120
PNG
((Z)-N'-(1-(3-fluorobenzyl)-5-methyl-2-oxoindol...)
Show SMILES Cc1ccc2N(Cc3cccc(F)c3)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C27H20FN3O5/c1-16-5-9-22-21(11-16)26(27(34)31(22)14-17-3-2-4-19(28)12-17)30-29-24(32)15-35-20-8-6-18-7-10-25(33)36-23(18)13-20/h2-13H,14-15H2,1H3,(H,29,32)/b30-26-
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223107
PNG
((Z)-N'-(5-methyl-2-oxoindolin-3-ylidene)-2-((2...)
Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C20H15N3O5/c1-11-2-6-15-14(8-11)19(20(26)21-15)23-22-17(24)10-27-13-5-3-12-4-7-18(25)28-16(12)9-13/h2-9H,10H2,1H3,(H,22,24)(H,21,23,26)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223110
PNG
((Z)-N'-(5-chloro-2-oxoindolin-3-ylidene)-2-((2...)
Show SMILES Clc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1
Show InChI InChI=1S/C19H12ClN3O5/c20-11-3-5-14-13(7-11)18(19(26)21-14)23-22-16(24)9-27-12-4-1-10-2-6-17(25)28-15(10)8-12/h1-8H,9H2,(H,22,24)(H,21,23,26)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223106
PNG
((Z)-2-((2-oxo-2H-chromen-7-yl)oxy)-N'-(2-oxoin...)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)N\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H13N3O5/c23-16(21-22-18-13-3-1-2-4-14(13)20-19(18)25)10-26-12-7-5-11-6-8-17(24)27-15(11)9-12/h1-9H,10H2,(H,21,23)(H,20,22,25)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223108
PNG
((Z)-N'-(5,7-dimethyl-2-oxoindolin-3-ylidene)-2...)
Show SMILES Cc1cc2\C(=N\NC(=O)COc3ccc4ccc(=O)oc4c3)C(=O)Nc2c(C)c1
Show InChI InChI=1S/C21H17N3O5/c1-11-7-12(2)19-15(8-11)20(21(27)22-19)24-23-17(25)10-28-14-5-3-13-4-6-18(26)29-16(13)9-14/h3-9H,10H2,1-2H3,(H,23,25)(H,22,24,27)
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Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM223113
PNG
((Z)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-((2...)
Show SMILES CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12
Show InChI InChI=1S/C20H15N3O5/c1-23-15-5-3-2-4-14(15)19(20(23)26)22-21-17(24)11-27-13-8-6-12-7-9-18(25)28-16(12)10-13/h2-10H,11H2,1H3,(H,21,24)/b22-19-
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n/an/a 2.69E+5n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
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
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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PubMed
n/an/a 8.17E+5n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed usin...


Chem Biol Drug Des 89: 456-463 (2017)


Article DOI: 10.1111/cbdd.12867
BindingDB Entry DOI: 10.7270/Q25M64KX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%