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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Alpha-(1,3)-fucosyltransferase IV'   
Target
(Institution)
LigandTarget
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 IV


(HUMAN)
BDBM50366919
PNG
(CHEMBL610389)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCCC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C32H39N9O12P2/c33-32-36-29-26(30(45)37-32)34-19-41(29)31-28(44)27(43)24(52-31)18-51-55(48,49)53-54(46,47)50-17-22-16-40(39-38-22)14-8-7-13-25(42)35-23(21-11-5-2-6-12-21)15-20-9-3-1-4-10-20/h1-6,9-12,16,19,23-24,27-28,31,43-44H,7-8,13-15,17-18H2,(H,35,42)(H,46,47)(H,48,49)(H3,33,36,37,45)/t23?,24-,27-,28-,31?/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366918
PNG
(CHEMBL610391)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C29H33N9O12P2/c30-29-33-26-23(27(42)34-29)31-16-38(26)28-25(41)24(40)21(49-28)15-48-52(45,46)50-51(43,44)47-14-19-12-37(36-35-19)13-22(39)32-20(18-9-5-2-6-10-18)11-17-7-3-1-4-8-17/h1-10,12,16,20-21,24-25,28,40-41H,11,13-15H2,(H,32,39)(H,43,44)(H,45,46)(H3,30,33,34,42)/t20?,21-,24-,25-,28?/m1/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.80E+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...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366916
PNG
(CHEMBL610390)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCCC(=O)Nc3ccc4c(O)c5ccccc5c(O)c4c3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C32H35N9O14P2/c33-32-36-29-24(30(47)37-32)34-15-41(29)31-28(46)27(45)22(54-31)14-53-57(50,51)55-56(48,49)52-13-17-12-40(39-38-17)10-4-3-7-23(42)35-16-8-9-20-21(11-16)26(44)19-6-2-1-5-18(19)25(20)43/h1-2,5-6,8-9,11-12,15,22,27-28,31,43-46H,3-4,7,10,13-14H2,(H,35,42)(H,48,49)(H,50,51)(H3,33,36,37,47)/t22-,27-,28-,31?/m1/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366917
PNG
(CHEMBL611881)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCC(=O)NCc3cccc4ccccc34)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H31N9O12P2/c28-27-31-24-21(25(40)32-27)30-14-36(24)26-23(39)22(38)19(47-26)13-46-50(43,44)48-49(41,42)45-12-17-11-35(34-33-17)9-8-20(37)29-10-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,11,14,19,22-23,26,38-39H,8-10,12-13H2,(H,29,37)(H,41,42)(H,43,44)(H3,28,31,32,40)/t19-,22-,23-,26?/m1/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366920
PNG
(CHEMBL608046)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C31H37N9O12P2/c32-31-35-28-25(29(44)36-31)33-18-40(28)30-27(43)26(42)23(51-30)17-50-54(47,48)52-53(45,46)49-16-21-15-39(38-37-21)13-7-12-24(41)34-22(20-10-5-2-6-11-20)14-19-8-3-1-4-9-19/h1-6,8-11,15,18,22-23,26-27,30,42-43H,7,12-14,16-17H2,(H,34,41)(H,45,46)(H,47,48)(H3,32,35,36,44)/t22?,23-,26-,27-,30?/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50085536
PNG
(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Show SMILES OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
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n/an/a 1.40E+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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366919
PNG
(CHEMBL610389)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCCC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C32H39N9O12P2/c33-32-36-29-26(30(45)37-32)34-19-41(29)31-28(44)27(43)24(52-31)18-51-55(48,49)53-54(46,47)50-17-22-16-40(39-38-22)14-8-7-13-25(42)35-23(21-11-5-2-6-12-21)15-20-9-3-1-4-10-20/h1-6,9-12,16,19,23-24,27-28,31,43-44H,7-8,13-15,17-18H2,(H,35,42)(H,46,47)(H,48,49)(H3,33,36,37,45)/t23?,24-,27-,28-,31?/m1/s1
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376n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366918
PNG
(CHEMBL610391)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C29H33N9O12P2/c30-29-33-26-23(27(42)34-29)31-16-38(26)28-25(41)24(40)21(49-28)15-48-52(45,46)50-51(43,44)47-14-19-12-37(36-35-19)13-22(39)32-20(18-9-5-2-6-10-18)11-17-7-3-1-4-8-17/h1-10,12,16,20-21,24-25,28,40-41H,11,13-15H2,(H,32,39)(H,43,44)(H,45,46)(H3,30,33,34,42)/t20?,21-,24-,25-,28?/m1/s1
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437n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366916
PNG
(CHEMBL610390)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCCC(=O)Nc3ccc4c(O)c5ccccc5c(O)c4c3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C32H35N9O14P2/c33-32-36-29-24(30(47)37-32)34-15-41(29)31-28(46)27(45)22(54-31)14-53-57(50,51)55-56(48,49)52-13-17-12-40(39-38-17)10-4-3-7-23(42)35-16-8-9-20-21(11-16)26(44)19-6-2-1-5-18(19)25(20)43/h1-2,5-6,8-9,11-12,15,22,27-28,31,43-46H,3-4,7,10,13-14H2,(H,35,42)(H,48,49)(H,50,51)(H3,33,36,37,47)/t22-,27-,28-,31?/m1/s1
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511n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366917
PNG
(CHEMBL611881)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCC(=O)NCc3cccc4ccccc34)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H31N9O12P2/c28-27-31-24-21(25(40)32-27)30-14-36(24)26-23(39)22(38)19(47-26)13-46-50(43,44)48-49(41,42)45-12-17-11-35(34-33-17)9-8-20(37)29-10-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,11,14,19,22-23,26,38-39H,8-10,12-13H2,(H,29,37)(H,41,42)(H,43,44)(H3,28,31,32,40)/t19-,22-,23-,26?/m1/s1
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901n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV


(HUMAN)
BDBM50366920
PNG
(CHEMBL608046)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OCc2cn(CCCC(=O)NC(Cc3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C31H37N9O12P2/c32-31-35-28-25(29(44)36-31)33-18-40(28)30-27(43)26(42)23(51-30)17-50-54(47,48)52-53(45,46)49-16-21-15-39(38-37-21)13-7-12-24(41)34-22(20-10-5-2-6-11-20)14-19-8-3-1-4-9-19/h1-6,8-11,15,18,22-23,26-27,30,42-43H,7,12-14,16-17H2,(H,34,41)(H,45,46)(H,47,48)(H3,32,35,36,44)/t22?,23-,26-,27-,30?/m1/s1
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1.07E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Fucosyltransferase 6


Citation and Details
More data for this
Ligand-Target Pair