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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 443.2
BDBM92459
Purchase
Wt: 525.1
BDBM50370754
Wt: 708.3
BDBM50035293
Wt: 692.3
BDBM50035294
Wt: 692.3
BDBM50035295
Wt: 604.3
BDBM50035296
Wt: 427.2
BDBM50035297

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 24 hits in this display   
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-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035297
PNG
(CHEBI:28862 | CHEMBL1232205)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO[P@@](O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
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5.03E+4n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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7.79E+4n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50370754
PNG
(CHEMBL252929)
Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H18N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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8.07E+4n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035296
PNG
(CHEMBL3343356)
Show SMILES NC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H26N6O15P2/c17-1-4-7(23)9(25)11(27)15(35-4)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-6-12(22)20-16(18)21-13(6)28/h3-5,7-11,14-15,23-27H,1-2,17H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
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1.02E+5n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035295
PNG
(CHEMBL3343357)
Show SMILES [Na+].C[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1
Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8+,10+,11+,12+,13+,14-,17+,18-;/m0./s1
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1.37E+5n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035293
PNG
(CHEMBL3343359)
Show SMILES [Na+].Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N8O16P2.Na/c20-19-22-15-9(16(34)23-19)21-5-26(15)17-13(32)11(30)8(42-17)4-40-45(37,38)43-44(35,36)39-3-6-1-27(25-24-6)18-14(33)12(31)10(29)7(2-28)41-18;/h1,5,7-8,10-14,17-18,28-33H,2-4H2,(H,35,36)(H,37,38)(H3,20,22,23,34);/q;+1/p-1/t7-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1
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1.86E+5n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035294
PNG
(CHEMBL3343358)
Show SMILES [Na+].C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1
Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1
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1.90E+5n/an/an/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII


(HUMAN)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.30E+3n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 2.40E+4n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035297
PNG
(CHEBI:28862 | CHEMBL1232205)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO[P@@](O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Fucosyltransferase 5


(Homo sapiens)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against fucosyltransferase (FucT V) in the presence of fucosyl acceptor N-acetyllactosamine


Bioorg Med Chem Lett 11: 1809-11 (2001)


Article DOI: 10.1016/s0960-894x(01)00282-7
BindingDB Entry DOI: 10.7270/Q2FF3SWF
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50370754
PNG
(CHEMBL252929)
Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H18N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035296
PNG
(CHEMBL3343356)
Show SMILES NC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H26N6O15P2/c17-1-4-7(23)9(25)11(27)15(35-4)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-6-12(22)20-16(18)21-13(6)28/h3-5,7-11,14-15,23-27H,1-2,17H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035294
PNG
(CHEMBL3343358)
Show SMILES [Na+].C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1
Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1
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n/an/a 1.34E+5n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035295
PNG
(CHEMBL3343357)
Show SMILES [Na+].C[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1
Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8+,10+,11+,12+,13+,14-,17+,18-;/m0./s1
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n/an/a 1.39E+5n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.522



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(2,3)-(N)-sialyltransferase


(HUMAN)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.322



Schering Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.522



Schering Plough Research Institute



Assay Description
A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...


Arch Biochem Biophys 425: 51-7 (2004)


Article DOI: 10.1016/j.abb.2004.02.039
BindingDB Entry DOI: 10.7270/Q20C4TCS
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase 9


(Homo sapiens)
BDBM50035293
PNG
(CHEMBL3343359)
Show SMILES [Na+].Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H28N8O16P2.Na/c20-19-22-15-9(16(34)23-19)21-5-26(15)17-13(32)11(30)8(42-17)4-40-45(37,38)43-44(35,36)39-3-6-1-27(25-24-6)18-14(33)12(31)10(29)7(2-28)41-18;/h1,5,7-8,10-14,17-18,28-33H,2-4H2,(H,35,36)(H,37,38)(H3,20,22,23,34);/q;+1/p-1/t7-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1
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n/an/a 2.47E+5n/an/an/an/an/an/a



Hamburg University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting


Bioorg Med Chem 22: 6430-7 (2014)


Article DOI: 10.1016/j.bmc.2014.09.038
BindingDB Entry DOI: 10.7270/Q2G73GC7
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM50370754
PNG
(CHEMBL252929)
Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H18N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/an/a 1.53E+5n/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)


Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/an/a 3.73E+5n/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)


Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens)
BDBM92459
PNG
(CHEMBL384759 | GDP | Guanosine Diphosphate)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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n/an/an/an/a 4.50E+4n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production


J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair