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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'fukui' and Initial = 'k'   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467718
PNG
(CHEMBL4287507)
Show SMILES OC(=O)c1csc(Cl)c1
Show InChI InChI=1S/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
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n/an/a 36n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467732
PNG
(CHEMBL4285389)
Show SMILES OC(=O)c1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
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n/an/a 90n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286250
PNG
(CHEMBL4159751)
Show SMILES OC(=O)CNC(=O)c1c(O)cc(-c2cccc(Cl)c2)c2ncnn12
Show InChI InChI=1S/C15H11ClN4O4/c16-9-3-1-2-8(4-9)10-5-11(21)13(15(24)17-6-12(22)23)20-14(10)18-7-19-20/h1-5,7,21H,6H2,(H,17,24)(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286228
PNG
(CHEMBL4174643)
Show SMILES OC(=O)CNC(=O)c1c(O)cc(-c2cccc(Cl)c2)n2ncnc12
Show InChI InChI=1S/C15H11ClN4O4/c16-9-3-1-2-8(4-9)10-5-11(21)13(14-18-7-19-20(10)14)15(24)17-6-12(22)23/h1-5,7,21H,6H2,(H,17,24)(H,22,23)
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n/an/a 120n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286232
PNG
(CHEMBL4173606)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(-c2ccccc2)c2ncnn12
Show InChI InChI=1S/C15H12N4O4/c20-11-6-10(9-4-2-1-3-5-9)14-17-8-18-19(14)13(11)15(23)16-7-12(21)22/h1-6,8,20H,7H2,(H,16,23)(H,21,22)
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n/an/a 190n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286231
PNG
(CHEMBL4175056)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(-c2ccccc2)n2ncnc12
Show InChI InChI=1S/C15H12N4O4/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22/h1-6,8,20H,7H2,(H,16,23)(H,21,22)
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n/an/a 210n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467728
PNG
(CHEMBL4276865)
Show SMILES Cc1cc(cs1)C(O)=O
Show InChI InChI=1S/C6H6O2S/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
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n/an/a 220n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286068
PNG
(CHEMBL4171201)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccc(F)cc2)n2ncnc12
Show InChI InChI=1S/C17H15FN4O4/c18-11-4-1-10(2-5-11)3-6-12-7-13(23)15(16-20-9-21-22(12)16)17(26)19-8-14(24)25/h1-2,4-5,7,9,23H,3,6,8H2,(H,19,26)(H,24,25)
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n/an/a 290n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 300n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (181 to 426 residues) (unknown origin) using biotinylated CODD peptide as substrate preincubated for 15 mins followed by substrate...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467731
PNG
(CHEMBL4292441)
Show SMILES Cc1cc(sc1Cl)C(O)=O
Show InChI InChI=1S/C6H5ClO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9)
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n/an/a 360n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286263
PNG
(CHEMBL4167657)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)c2ncnn12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)16-19-10-20-21(16)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a 370n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286233
PNG
(CHEMBL4175892)
Show SMILES Cl.CCCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C13H16N4O4/c1-2-3-4-8-5-9(18)11(12-15-7-16-17(8)12)13(21)14-6-10(19)20/h5,7,18H,2-4,6H2,1H3,(H,14,21)(H,19,20)
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n/an/a 450n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207556
PNG
(CHEMBL3972306)
Show SMILES Cc1cc(=O)oc2cc(OCCCCn3cc(CCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)nn3)ccc12 |r|
Show InChI InChI=1S/C26H36N4O7/c1-17-12-24(33)37-23-13-19(7-8-20(17)23)36-11-5-4-10-30-14-18(27-28-30)6-2-3-9-29-15-22(32)26(35)25(34)21(29)16-31/h7-8,12-14,21-22,25-26,31-32,34-35H,2-6,9-11,15-16H2,1H3/t21-,22+,25-,26-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate in...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286227
PNG
(CHEMBL4160770)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccc2ncnn12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-6-11-4-12-13(6)8(5)9(17)10-3-7(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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n/an/a 650n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286224
PNG
(CHEMBL4162891)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(C2CCCCC2)c2ncnn12
Show InChI InChI=1S/C15H18N4O4/c20-11-6-10(9-4-2-1-3-5-9)14-17-8-18-19(14)13(11)15(23)16-7-12(21)22/h6,8-9,20H,1-5,7H2,(H,16,23)(H,21,22)
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n/an/a 720n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467736
PNG
(CHEMBL4280438)
Show SMILES OC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
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n/an/a 720n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286230
PNG
(CHEMBL4171371)
Show SMILES Cl.CCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C12H14N4O4/c1-2-3-7-4-8(17)10(11-14-6-15-16(7)11)12(20)13-5-9(18)19/h4,6,17H,2-3,5H2,1H3,(H,13,20)(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286072
PNG
(CHEMBL4164403)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(C2CCCCC2)n2ncnc12
Show InChI InChI=1S/C15H18N4O4/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22/h6,8-9,20H,1-5,7H2,(H,16,23)(H,21,22)
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n/an/a 730n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286069
PNG
(CHEMBL4174815)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccn2ncnc12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-13-8(11-4-12-13)7(5)9(17)10-3-6(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286248
PNG
(CHEMBL4168030)
Show SMILES Cl.CCCCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C14H18N4O4/c1-2-3-4-5-9-6-10(19)12(13-16-8-17-18(9)13)14(22)15-7-11(20)21/h6,8,19H,2-5,7H2,1H3,(H,15,22)(H,20,21)
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n/an/a 850n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207555
PNG
(CHEMBL3901171)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCc1cn(CCCCOc2ccc3c(cc(=O)oc3c2)C(F)(F)F)nn1 |r|
Show InChI InChI=1S/C26H33F3N4O7/c27-26(28,29)19-12-23(36)40-22-11-17(6-7-18(19)22)39-10-4-3-9-33-13-16(30-31-33)5-1-2-8-32-14-21(35)25(38)24(37)20(32)15-34/h6-7,11-13,20-21,24-25,34-35,37-38H,1-5,8-10,14-15H2/t20-,21+,24-,25-/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate in...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286247
PNG
(CHEMBL4164159)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccn2cnnc12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-13-4-11-12-8(13)7(5)9(17)10-3-6(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467733
PNG
(CHEMBL4290664)
Show SMILES Cc1csc(c1)C(O)=O
Show InChI InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467716
PNG
(CHEMBL4293210)
Show SMILES OC(=O)c1cc(cs1)C(F)F
Show InChI InChI=1S/C6H4F2O2S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2,5H,(H,9,10)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467717
PNG
(CHEMBL4291755)
Show SMILES OC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207553
PNG
(CHEMBL3968204)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOCCn3cc(CCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)nn3)c(=O)oc2c1 |r|
Show InChI InChI=1S/C34H52N6O10/c1-3-38(4-2)26-9-8-24-19-27(34(46)50-30(24)20-26)33(45)35-10-13-47-15-17-49-18-16-48-14-12-40-21-25(36-37-40)7-5-6-11-39-22-29(42)32(44)31(43)28(39)23-41/h8-9,19-21,28-29,31-32,41-44H,3-7,10-18,22-23H2,1-2H3,(H,35,45)/t28-,29+,31-,32-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate in...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207556
PNG
(CHEMBL3972306)
Show SMILES Cc1cc(=O)oc2cc(OCCCCn3cc(CCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)nn3)ccc12 |r|
Show InChI InChI=1S/C26H36N4O7/c1-17-12-24(33)37-23-13-19(7-8-20(17)23)36-11-5-4-10-30-14-18(27-28-30)6-2-3-9-29-15-22(32)26(35)25(34)21(29)16-31/h7-8,12-14,21-22,25-26,31-32,34-35H,2-6,9-11,15-16H2,1H3/t21-,22+,25-,26-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467737
PNG
(CHEMBL4288339)
Show SMILES OC(=O)c1ccc(F)s1
Show InChI InChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286070
PNG
(CHEMBL4166512)
Show SMILES Cl.Cc1nc2c(C(=O)NCC(O)=O)c(O)cc(CCc3ccccc3)n2n1
Show InChI InChI=1S/C18H18N4O4/c1-11-20-17-16(18(26)19-10-15(24)25)14(23)9-13(22(17)21-11)8-7-12-5-3-2-4-6-12/h2-6,9,23H,7-8,10H2,1H3,(H,19,26)(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207557
PNG
(CHEMBL3980365)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCn1cc(CCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1 |r|
Show InChI InChI=1S/C28H42N6O7S/c1-32(2)23-10-5-9-22-21(23)8-6-11-26(22)42(39,40)29-12-15-41-16-14-34-17-20(30-31-34)7-3-4-13-33-18-25(36)28(38)27(37)24(33)19-35/h5-6,8-11,17,24-25,27-29,35-38H,3-4,7,12-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate in...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286245
PNG
(CHEMBL4163070)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1O
Show InChI InChI=1S/C18H13ClN2O5/c19-17-13-8-11(26-10-4-2-1-3-5-10)6-7-12(13)16(24)15(21-17)18(25)20-9-14(22)23/h1-8,24H,9H2,(H,20,25)(H,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286251
PNG
(CHEMBL4167844)
Show SMILES Cl.CCCCCc1cn2ncnc2c(C(=O)NCC(O)=O)c1O
Show InChI InChI=1S/C14H18N4O4/c1-2-3-4-5-9-7-18-13(16-8-17-18)11(12(9)21)14(22)15-6-10(19)20/h7-8,21H,2-6H2,1H3,(H,15,22)(H,19,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207554
PNG
(CHEMBL3918889)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCc1cn(CCCCOc2ccc3nc4ccc(=O)cc4oc3c2)nn1 |r|
Show InChI InChI=1S/C28H35N5O7/c34-17-23-27(37)28(38)24(36)16-32(23)10-2-1-5-18-15-33(31-30-18)11-3-4-12-39-20-7-9-22-26(14-20)40-25-13-19(35)6-8-21(25)29-22/h6-9,13-15,23-24,27-28,34,36-38H,1-5,10-12,16-17H2/t23-,24+,27-,28-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate in...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207555
PNG
(CHEMBL3901171)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCc1cn(CCCCOc2ccc3c(cc(=O)oc3c2)C(F)(F)F)nn1 |r|
Show InChI InChI=1S/C26H33F3N4O7/c27-26(28,29)19-12-23(36)40-22-11-17(6-7-18(19)22)39-10-4-3-9-33-13-16(30-31-33)5-1-2-8-32-14-21(35)25(38)24(37)20(32)15-34/h6-7,11-13,20-21,24-25,34-35,37-38H,1-5,8-10,14-15H2/t20-,21+,24-,25-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50074328
PNG
(CHEMBL164585 | Thiophene-3-carboxylic acid)
Show SMILES OC(=O)c1ccsc1
Show InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467735
PNG
(CHEMBL4283897)
Show SMILES Cc1ccc(s1)C(O)=O
Show InChI InChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207557
PNG
(CHEMBL3980365)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCn1cc(CCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1 |r|
Show InChI InChI=1S/C28H42N6O7S/c1-32(2)23-10-5-9-22-21(23)8-6-11-26(22)42(39,40)29-12-15-41-16-14-34-17-20(30-31-34)7-3-4-13-33-18-25(36)28(38)27(37)24(33)19-35/h5-6,8-11,17,24-25,27-29,35-38H,3-4,7,12-16,18-19H2,1-2H3/t24-,25+,27-,28-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207554
PNG
(CHEMBL3918889)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCc1cn(CCCCOc2ccc3nc4ccc(=O)cc4oc3c2)nn1 |r|
Show InChI InChI=1S/C28H35N5O7/c34-17-23-27(37)28(38)24(36)16-32(23)10-2-1-5-18-15-33(31-30-18)11-3-4-12-39-20-7-9-22-26(14-20)40-25-13-19(35)6-8-21(25)29-22/h6-9,13-15,23-24,27-28,34,36-38H,1-5,10-12,16-17H2/t23-,24+,27-,28-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286246
PNG
(CHEMBL4159695)
Show SMILES OC(=O)CNC(=O)c1c(O)ccc2ccnn12
Show InChI InChI=1S/C10H9N3O4/c14-7-2-1-6-3-4-12-13(6)9(7)10(17)11-5-8(15)16/h1-4,14H,5H2,(H,11,17)(H,15,16)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286249
PNG
(CHEMBL4159929)
Show SMILES Cl.CCc1c(O)c(C(=O)NCC(O)=O)c2ncnn2c1CC
Show InChI InChI=1S/C13H16N4O4/c1-3-7-8(4-2)17-12(15-6-16-17)10(11(7)20)13(21)14-5-9(18)19/h6,20H,3-5H2,1-2H3,(H,14,21)(H,18,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467715
PNG
(CHEMBL1452423)
Show SMILES Cc1cc(sc1C)C(O)=O
Show InChI InChI=1S/C7H8O2S/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3,(H,8,9)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50324678
PNG
(CHEMBL1222314 | thiophene-2-carboxylic acid)
Show SMILES OC(=O)c1cccs1
Show InChI InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467722
PNG
(CHEMBL4295194)
Show SMILES OC(=O)c1ccc(s1)C(F)F
Show InChI InChI=1S/C6H4F2O2S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5H,(H,9,10)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50207553
PNG
(CHEMBL3968204)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOCCn3cc(CCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)nn3)c(=O)oc2c1 |r|
Show InChI InChI=1S/C34H52N6O10/c1-3-38(4-2)26-9-8-24-19-27(34(46)50-30(24)20-26)33(45)35-10-13-47-15-17-49-18-16-48-14-12-40-21-25(36-37-40)7-5-6-11-39-22-29(42)32(44)31(43)28(39)23-41/h8-9,19-21,28-29,31-32,41-44H,3-7,10-18,22-23H2,1-2H3,(H,35,45)/t28-,29+,31-,32-/m1/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



Shibaura Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate...


Bioorg Med Chem 25: 773-778 (2017)


Article DOI: 10.1016/j.bmc.2016.11.053
BindingDB Entry DOI: 10.7270/Q2CN75WZ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286229
PNG
(CHEMBL4167612)
Show SMILES OC(=O)CNC(=O)c1c(O)ccn2ccnc12
Show InChI InChI=1S/C10H9N3O4/c14-6-1-3-13-4-2-11-9(13)8(6)10(17)12-5-7(15)16/h1-4,14H,5H2,(H,12,17)(H,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00404
BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467719
PNG
(CHEMBL4287252)
Show SMILES OC(=O)c1ccc(s1)C(F)(F)F
Show InChI InChI=1S/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467727
PNG
(CHEMBL4288645)
Show SMILES OC(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50467713
PNG
(CHEMBL4292062)
Show SMILES CCc1cc(cs1)C(O)=O
Show InChI InChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Tokushima University

Curated by ChEMBL


Assay Description
Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD


Eur J Med Chem 159: 23-34 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.040
BindingDB Entry DOI: 10.7270/Q28918KH
More data for this
Ligand-Target Pair
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