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Articleid 50034762

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Beta-1,4-galactosyltransferase 1


(Bos taurus (Cattle))
BDBM50366328
PNG
(CHEMBL606075)
Show SMILES OCC1OC(CP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)=CC(O)C1O |r,c:31|
Show InChI InChI=1S/C16H24N2O15P2/c19-4-9-12(22)8(20)3-7(31-9)6-34(26,27)33-35(28,29)30-5-10-13(23)14(24)15(32-10)18-2-1-11(21)17-16(18)25/h1-3,8-10,12-15,19-20,22-24H,4-6H2,(H,26,27)(H,28,29)(H,17,21,25)/t8?,9?,10-,12?,13-,14-,15?/m1/s1
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Article
6.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Bos taurus (Cattle))
BDBM50366330
PNG
(CHEMBL605663)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(=O)OC2OC(O)C(O)C(O)C2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C15H24N2O16P2/c18-6-1-2-17(15(25)16-6)12-9(21)7(19)5(31-12)3-30-34(26,27)4-35(28,29)33-14-11(23)8(20)10(22)13(24)32-14/h1-2,5,7-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H,16,18,25)/t5-,7-,8?,9-,10?,11?,12?,13?,14?/m1/s1
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Article
9.69E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Bos taurus (Cattle))
BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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Article
1.28E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Bos taurus (Cattle))
BDBM50366329
PNG
(CHEMBL605030)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)C2OC(O)C(O)C(O)C2O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C14H22N2O16P2/c17-5-1-2-16(14(24)15-5)11-8(20)6(18)4(30-11)3-29-34(27,28)32-33(25,26)13-10(22)7(19)9(21)12(23)31-13/h1-2,4,6-13,18-23H,3H2,(H,25,26)(H,27,28)(H,15,17,24)/t4-,6-,7?,8-,9?,10?,11?,12?,13?/m1/s1
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Article
1.65E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
Beta-1,4-galactosyltransferase 1


(Bos taurus (Cattle))
BDBM50282179
PNG
((4,5-Dihydroxy-6-hydroxymethyl-5,6-dihydro-4H-pyra...)
Show SMILES OCC1OC(CP(O)(O)=O)=CC(O)C1O |c:9|
Show InChI InChI=1S/C7H13O7P/c8-2-6-7(10)5(9)1-4(14-6)3-15(11,12)13/h1,5-10H,2-3H2,(H2,11,12,13)
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Article
1.43E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk


Bioorg Med Chem Lett 3: 1747-1750 (1993)


Article DOI: 10.1016/S0960-894X(00)80055-4
BindingDB Entry DOI: 10.7270/Q2028S2R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%