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Compile Data Set for Download or QSAR

Found 351 hits with Last Name = 'suga' and Initial = 'y'   
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
Glutamate receptor 2


(Homo sapiens (Human))		BDBM50427677
PNG
(CHEMBL2323527)
Show SMILES OC(=O)C[C@@]12O[C@H]3C=CCN[C@H]3[C@@H]1C(=O)NC2C(O)=O |r,c:7|
Show InChI InChI=1S/C12H14N2O6/c15-6(16)4-12-7(10(17)14-9(12)11(18)19)8-5(20-12)2-1-3-13-8/h1-2,5,7-9,13H,3-4H2,(H,14,17)(H,15,16)(H,18,19)/t5-,7+,8+,9?,12+/m0/s1
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 5.60E+5n/an/an/an/an/an/an/an/a



Yokohama City University

Curated by ChEMBL


Assay Description
Binding affinity to GluA2 ligand binding domain (unknown origin) by competitive binding assay

J Med Chem 56: 2283-93 (2013)


Article DOI: 10.1021/jm301590z
BindingDB Entry DOI: 10.7270/Q2SJ1MZN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462596
PNG
(CHEMBL4242659)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462587
PNG
(CHEMBL4250271)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50461380
PNG
(CHEMBL4225418)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)c2cnn(C)c2n1
Show InChI InChI=1S/C29H32N10O5S/c1-37-27-21(15-32-37)23(12-22(34-27)20-11-24(36-45(3,41)42)29(43-2)31-14-20)35-28(40)25-18-44-26(33-25)17-39-9-7-38(8-10-39)16-19-5-4-6-30-13-19/h4-6,11-15,18,36H,7-10,16-17H2,1-3H3,(H,34,35,40)
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n/an/a 0.75n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...

Bioorg Med Chem 26: 2410-2419 (2018)


Article DOI: 10.1016/j.bmc.2018.03.042
BindingDB Entry DOI: 10.7270/Q2PN988P
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462596
PNG
(CHEMBL4242659)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462587
PNG
(CHEMBL4250271)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462588
PNG
(CHEMBL4248505)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462594
PNG
(CHEMBL4249087)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462589
PNG
(CHEMBL4247328)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462588
PNG
(CHEMBL4248505)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166423
PNG
(US9073821, 550)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1coc(COC)c1)C(=O)NO |r|
Show InChI InChI=1S/C21H23N3O6/c1-21(19(26)22-2,20(27)23-28)24(3)18(25)16-9-7-14(8-10-16)5-6-15-11-17(13-29-4)30-12-15/h7-12,28H,13H2,1-4H3,(H,22,26)(H,23,27)/t21-/m0/s1
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n/an/a 1.60n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462589
PNG
(CHEMBL4247328)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166411
PNG
(US9073821, 376)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C27H32N4O5/c1-27(25(33)28-2,26(34)29-35)30(3)24(32)23-13-11-21(12-14-23)6-5-20-7-9-22(10-8-20)19-31-15-4-17-36-18-16-31/h7-14,35H,4,15-19H2,1-3H3,(H,28,33)(H,29,34)/t27-/m0/s1
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n/an/a 2n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM50427137
PNG
(SOLAMIN)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O |t:34|
Show InChI InChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31+,32+,33+,34?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine heart mitochondrial complex 1

Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50461379
PNG
(CHEMBL4227156)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166426
PNG
(US9073821, 557)
Show SMILES CCOC1CN(Cc2ccc(cc2)C#Cc2ccc(cc2)C(=O)N(C)[C@@](C)(C(=O)NC)C(=O)NO)C1 |r|
Show InChI InChI=1S/C27H32N4O5/c1-5-36-23-17-31(18-23)16-21-10-8-19(9-11-21)6-7-20-12-14-22(15-13-20)24(32)30(4)27(2,25(33)28-3)26(34)29-35/h8-15,23,35H,5,16-18H2,1-4H3,(H,28,33)(H,29,34)/t27-/m0/s1
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n/an/a 2.30n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50461373
PNG
(CHEMBL4228899)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166418
PNG
(US9073821, 434)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(\C=C\c2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H32N4O5/c1-26(24(32)27-2,25(33)28-34)29(3)23(31)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)18-30-14-16-35-17-15-30/h4-13,34H,14-18H2,1-3H3,(H,27,32)(H,28,33)/b5-4+/t26-/m0/s1
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n/an/a 2.80n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166415
PNG
(US9073821, 405)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C#CCOC)C(=O)NO
Show InChI InChI=1S/C22H23N3O5/c1-23-20(26)19(21(27)24-29)25(2)22(28)18-12-10-17(11-13-18)16-8-6-15(7-9-16)5-4-14-30-3/h6-13,19,29H,14H2,1-3H3,(H,23,26)(H,24,27)
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n/an/a 2.90n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462595
PNG
(CHEMBL4250966)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM50427136
PNG
(CHEMBL1834283)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](CF)OC1=O |r,t:34|
Show InChI InChI=1S/C35H63FO5/c1-2-3-4-5-6-7-11-14-17-20-23-31(37)33-25-26-34(41-33)32(38)24-21-18-15-12-9-8-10-13-16-19-22-29-27-30(28-36)40-35(29)39/h27,30-34,37-38H,2-26,28H2,1H3/t30-,31-,32-,33-,34-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine heart mitochondrial complex 1

Bioorg Med Chem Lett 23: 1217-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.018
BindingDB Entry DOI: 10.7270/Q28P61VW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166409
PNG
(US9073821, 211)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C(C(=O)NC)C(=O)NO
Show InChI InChI=1S/C20H23N3O5/c1-4-28-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20(26)23(3)17(18(24)21-2)19(25)22-27/h5-12,17,27H,4H2,1-3H3,(H,21,24)(H,22,25)
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n/an/a 3.10n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166412
PNG
(US9073821, 396)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1ccc(CNC2COC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H28N4O5/c1-25(23(31)26-2,24(32)28-33)29(3)22(30)20-12-10-18(11-13-20)5-4-17-6-8-19(9-7-17)14-27-21-15-34-16-21/h6-13,21,27,33H,14-16H2,1-3H3,(H,26,31)(H,28,32)/t25-/m0/s1
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n/an/a 3.10n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462593
PNG
(CHEMBL4246031)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166388
PNG
(US9073821, 3)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H21N3O5/c1-20-17(23)16(18(24)21-26)22(2)19(25)14-6-4-12(5-7-14)13-8-10-15(27-3)11-9-13/h4-11,16,26H,1-3H3,(H,20,23)(H,21,24)
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n/an/a 3.30n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50461383
PNG
(CHEMBL4229164)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(CCN4CCOCC4)CC3)n2)c2cnn(C)c2n1
Show InChI InChI=1S/C29H38N10O6S/c1-36-27-21(17-31-36)23(15-22(33-27)20-14-24(35-46(3,41)42)29(43-2)30-16-20)34-28(40)25-19-45-26(32-25)18-39-8-6-37(7-9-39)4-5-38-10-12-44-13-11-38/h14-17,19,35H,4-13,18H2,1-3H3,(H,33,34,40)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...

Bioorg Med Chem 26: 2410-2419 (2018)


Article DOI: 10.1016/j.bmc.2018.03.042
BindingDB Entry DOI: 10.7270/Q2PN988P
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166432
PNG
(US9073821, 585)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)C#Cc1coc(CNC2CC2)c1)C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O5/c1-23(21(29)24-2,22(30)26-31)27(3)20(28)17-8-6-15(7-9-17)4-5-16-12-19(32-14-16)13-25-18-10-11-18/h6-9,12,14,18,25,31H,10-11,13H2,1-3H3,(H,24,29)(H,26,30)/t23-/m0/s1
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n/an/a 3.40n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166390
PNG
(US9073821, 5)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C19H21N3O4/c1-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19(25)22(3)16(17(23)20-2)18(24)21-26/h4-11,16,26H,1-3H3,(H,20,23)(H,21,24)
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n/an/a 3.70n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166430
PNG
(US9073821, 563)
Show SMILES CCOC1CN(Cc2ccc(cc2F)C#Cc2ccc(cc2)C(=O)N(C)C(C(=O)NC)C(=O)NO)C1
Show InChI InChI=1S/C26H29FN4O5/c1-4-36-21-15-31(16-21)14-20-12-9-18(13-22(20)27)6-5-17-7-10-19(11-8-17)26(34)30(3)23(24(32)28-2)25(33)29-35/h7-13,21,23,35H,4,14-16H2,1-3H3,(H,28,32)(H,29,33)
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n/an/a 3.90n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462594
PNG
(CHEMBL4249087)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166408
PNG
(US9073821, 168)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCCOCC2)cc1)C(=O)NO
Show InChI InChI=1S/C26H30N4O5/c1-27-24(31)23(25(32)28-34)29(2)26(33)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)18-30-14-3-16-35-17-15-30/h6-13,23,34H,3,14-18H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 4.20n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462590
PNG
(CHEMBL4244862)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166419
PNG
(US9073821, 477)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(\C=C\C#Cc2ccc(CNC3CC3)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C26H28N4O4/c1-27-24(31)23(25(32)29-34)30(2)26(33)21-13-11-19(12-14-21)6-4-3-5-18-7-9-20(10-8-18)17-28-22-15-16-22/h4,6-14,22-23,28,34H,15-17H2,1-2H3,(H,27,31)(H,29,32)/b6-4+
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n/an/a 4.30n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166406
PNG
(US9073821, 237)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(CF)cc1)C(=O)NO
Show InChI InChI=1S/C19H20FN3O4/c1-21-17(24)16(18(25)22-27)23(2)19(26)15-9-7-14(8-10-15)13-5-3-12(11-20)4-6-13/h3-10,16,27H,11H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 4.5n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50461379
PNG
(CHEMBL4227156)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...

Bioorg Med Chem 26: 2410-2419 (2018)


Article DOI: 10.1016/j.bmc.2018.03.042
BindingDB Entry DOI: 10.7270/Q2PN988P
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50461378
PNG
(CHEMBL4229226)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C25H28N6O4S/c1-30-24-20(14-27-30)23(35-19-9-10-31(16-19)15-17-7-5-4-6-8-17)12-21(28-24)18-11-22(29-36(3,32)33)25(34-2)26-13-18/h4-8,11-14,19,29H,9-10,15-16H2,1-3H3/t19-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...

Bioorg Med Chem 26: 2410-2419 (2018)


Article DOI: 10.1016/j.bmc.2018.03.042
BindingDB Entry DOI: 10.7270/Q2PN988P
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166396
PNG
(US9073821, 52)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)NO
Show InChI InChI=1S/C19H18F3N3O5/c1-23-16(26)15(17(27)24-29)25(2)18(28)13-5-3-11(4-6-13)12-7-9-14(10-8-12)30-19(20,21)22/h3-10,15,29H,1-2H3,(H,23,26)(H,24,27)
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n/an/a 4.60n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462590
PNG
(CHEMBL4244862)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166394
PNG
(US9073821, 40)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc2N(C)CCc2c1)C(=O)NO
Show InChI InChI=1S/C21H24N4O4/c1-22-19(26)18(20(27)23-29)25(3)21(28)14-6-4-13(5-7-14)15-8-9-17-16(12-15)10-11-24(17)2/h4-9,12,18,29H,10-11H2,1-3H3,(H,22,26)(H,23,27)
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n/an/a 4.70n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))		BDBM50462593
PNG
(CHEMBL4246031)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50462595
PNG
(CHEMBL4250966)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...

Bioorg Med Chem 26: 3917-3924 (2018)


Article DOI: 10.1016/j.bmc.2018.06.012
BindingDB Entry DOI: 10.7270/Q2ZP48RW
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166422
PNG
(US9073821, 528)
Show SMILES CNC(=O)C(C)(N(C)C(=O)c1ccc(cc1)C#Cc1coc(COC)c1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-21(19(26)22-2,20(27)23-28)24(3)18(25)16-9-7-14(8-10-16)5-6-15-11-17(13-29-4)30-12-15/h7-12,28H,13H2,1-4H3,(H,22,26)(H,23,27)
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n/an/a 4.80n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)		BDBM166414
PNG
(US9073821, 402)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(cc1)-c1ccc2n(C)ccc2c1)C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-22(20(28)23-2,21(29)24-30)26(4)19(27)15-7-5-14(6-8-15)16-9-10-18-17(13-16)11-12-25(18)3/h5-13,30H,1-4H3,(H,23,28)(H,24,29)/t22-/m0/s1
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n/an/a 4.90n/an/an/an/a6.525



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of E. coli LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxytetradecanoyl)-N-acetylglucosamine and the amou...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166404
PNG
(US9073821, 188)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc2OCCc2c1)C(=O)NO
Show InChI InChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)13-5-3-12(4-6-13)14-7-8-16-15(11-14)9-10-28-16/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 5n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166407
PNG
(US9073821, 271)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc2CCOc2c1)C(=O)NO
Show InChI InChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)14-6-3-12(4-7-14)15-8-5-13-9-10-28-16(13)11-15/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
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n/an/a 5n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166393
PNG
(US9073821, 8)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc2OCOc2c1)C(=O)NO
Show InChI InChI=1S/C19H19N3O6/c1-20-17(23)16(18(24)21-26)22(2)19(25)12-5-3-11(4-6-12)13-7-8-14-15(9-13)28-10-27-14/h3-9,16,26H,10H2,1-2H3,(H,20,23)(H,21,24)
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n/an/a 5n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166417
PNG
(US9073821, 425)
Show SMILES CNC(=O)[C@](C)(N(C)C(=O)c1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C26H34N4O5/c1-26(24(32)27-2,25(33)28-34)29(3)23(31)22-12-10-20(11-13-22)5-4-19-6-8-21(9-7-19)18-30-14-16-35-17-15-30/h6-13,34H,4-5,14-18H2,1-3H3,(H,27,32)(H,28,33)/t26-/m0/s1
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n/an/a 5.10n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50461373
PNG
(CHEMBL4228899)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r|
Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...

Bioorg Med Chem 26: 2410-2419 (2018)


Article DOI: 10.1016/j.bmc.2018.03.042
BindingDB Entry DOI: 10.7270/Q2PN988P
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166401
PNG
(US9073821, 94)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc2OC(OC)Oc2c1)C(=O)NO
Show InChI InChI=1S/C20H21N3O7/c1-21-17(24)16(18(25)22-27)23(2)19(26)12-6-4-11(5-7-12)13-8-9-14-15(10-13)30-20(28-3)29-14/h4-10,16,20,27H,1-3H3,(H,21,24)(H,22,25)
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n/an/a 5.60n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM166402
PNG
(US9073821, 153)
Show SMILES CNC(=O)C(N(C)C(=O)c1ccc(cc1)-c1ccc(OCCO)cc1)C(=O)NO
Show InChI InChI=1S/C20H23N3O6/c1-21-18(25)17(19(26)22-28)23(2)20(27)15-5-3-13(4-6-15)14-7-9-16(10-8-14)29-12-11-24/h3-10,17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
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n/an/a 5.70n/an/an/an/a8.025



TAISHO PHARMACEUTICAL CO., LTD; TOYAMA CHEMICAL CO., LTD.

US Patent


Assay Description
To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine an...

US Patent US9073821 (2015)


BindingDB Entry DOI: 10.7270/Q2ZG6R0H
More data for this
Ligand-Target Pair
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