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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Beta-1,4-galactosyltransferase 1' AND taxid = 9606   
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
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370676
PNG
(CHEMBL607907)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](COCCOCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@@H]2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H44N2O20P2/c35-24-7-8-34(32(41)33-24)30-28(39)26(37)23(51-30)18-50-55(42,43)54-56(44,45)53-31-29(40)27(38)25(36)22(52-31)17-49-14-12-47-10-9-46-11-13-48-16-19-5-6-20-3-1-2-4-21(20)15-19/h1-8,15,22-23,25-31,36-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,35,41)/t22-,23+,25-,26+,27-,28+,29-,30?,31+/m0/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human galactosyltransferase using UDP-Gal


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50324492
PNG
(CHEMBL1214871 | NA)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](COCCOCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H44N2O20P2/c35-24-7-8-34(32(41)33-24)30-28(39)26(37)23(51-30)18-50-55(42,43)54-56(44,45)53-31-29(40)27(38)25(36)22(52-31)17-49-14-12-47-10-9-46-11-13-48-16-19-5-6-20-3-1-2-4-21(20)15-19/h1-8,15,22-23,25-31,36-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,35,41)/t22-,23-,25+,26-,27+,28-,29-,30-,31-/m1/s1
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1.86E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Beta-1,4-galactosyltransferase 1


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370674
PNG
(UDP-GALACTOSE)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H24N2O17P2/c18-2-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-3-6-9(21)11(23)13(31-6)4-1-7(19)17-15(25)16-4/h1,5-6,8-14,18,20-24H,2-3H2,(H,26,27)(H,28,29)(H2,16,17,19,25)/t5-,6-,8+,9-,10+,11-,12-,13+,14-/m1/s1
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4.91E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370675
PNG
(CHEMBL607908)
Show SMILES OC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](OCCOCCOCCOCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C32H44N2O20P2/c35-16-22-25(37)27(39)29(49-14-13-47-10-9-46-11-12-48-17-19-5-6-20-3-1-2-4-21(20)15-19)31(52-22)53-56(44,45)54-55(42,43)50-18-23-26(38)28(40)30(51-23)34-8-7-24(36)33-32(34)41/h1-8,15,22-23,25-31,35,37-40H,9-14,16-18H2,(H,42,43)(H,44,45)(H,33,36,41)/t22-,23+,25-,26+,27-,28+,29-,30?,31+/m0/s1
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1.17E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370678
PNG
(CHEMBL611116)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](CNNC(=O)COCCOCCOCc3ccc4ccccc4c3)[C@H](O)[C@H](O)[C@@H]2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H44N4O20P2/c37-23-7-8-36(32(44)34-23)30-28(42)26(40)22(53-30)16-52-57(45,46)56-58(47,48)55-31-29(43)27(41)25(39)21(54-31)14-33-35-24(38)17-51-12-10-49-9-11-50-15-18-5-6-19-3-1-2-4-20(19)13-18/h1-8,13,21-22,25-31,33,39-43H,9-12,14-17H2,(H,35,38)(H,45,46)(H,47,48)(H,34,37,44)/t21-,22+,25-,26+,27-,28+,29-,30?,31+/m0/s1
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2.06E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370677
PNG
(CHEMBL609634)
Show SMILES Cc1ccc2ccc(COC(=O)COCCOCC(=O)NC[C@@H]3O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]4OC([C@H](O)[C@@H]4O)n4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H](O)[C@H]3O)cc2c1
Show InChI InChI=1S/C33H43N3O21P2/c1-17-2-4-19-5-3-18(11-20(19)10-17)13-52-25(39)16-51-9-8-50-15-24(38)34-12-21-26(40)28(42)30(44)32(55-21)56-59(48,49)57-58(46,47)53-14-22-27(41)29(43)31(54-22)36-7-6-23(37)35-33(36)45/h2-7,10-11,21-22,26-32,40-44H,8-9,12-16H2,1H3,(H,34,38)(H,46,47)(H,48,49)(H,35,37,45)/t21-,22+,26-,27+,28-,29+,30-,31?,32+/m0/s1
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2.23E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50173721
PNG
(CHEMBL196432 | Uridine-5'-diphosphogalactose deriv...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCOC1OC(CO)C(O)C(O)C1NC(C)=O
Show InChI InChI=1S/C23H33N3O8S/c1-14(28)25-20-22(30)21(29)18(13-27)34-23(20)33-12-6-11-24-35(31,32)19-10-5-7-15-16(19)8-4-9-17(15)26(2)3/h4-5,7-10,18,20-24,27,29-30H,6,11-13H2,1-3H3,(H,25,28)
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7.67E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human Beta-1,4-galactosyltransferase I using UDP-Gal (0-160 uM)


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50370679
PNG
(CHEMBL611112)
Show SMILES COCCOCCOCCOC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H38N2O20P2/c1-36-4-5-37-6-7-38-8-9-39-10-12-15(26)17(28)19(30)21(42-12)43-46(34,35)44-45(32,33)40-11-13-16(27)18(29)20(41-13)24-3-2-14(25)23-22(24)31/h2-3,12-13,15-21,26-30H,4-11H2,1H3,(H,32,33)(H,34,35)(H,23,25,31)/t12-,13+,15-,16+,17-,18+,19-,20?,21+/m0/s1
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1.49E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I


Citation and Details
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Homo sapiens)
BDBM50427121
PNG
(CHEMBL2323429 | CHEMBL2323430)
Show SMILES C[n+]1ccn(CCCCCCCCCCCCCCCCCCCCn2cc[n+](C)c2)c1
Show InChI InChI=1S/C28H52N4/c1-29-23-25-31(27-29)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-32-26-24-30(2)28-32/h23-28H,3-22H2,1-2H3/q+2
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n/an/a 1.96E+6n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble His-tagged beta4-GalT1 expressed in Escherichia coli BL21 using GlcNAcbeta-Bn as substrate after 1 hr relativ...


Citation and Details
More data for this
Ligand-Target Pair