Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'β-1,4-Galactosyltransferase I (β4GalT)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072694 (CHEMBL320104 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...) Show SMILES COc1ccc2cc(OC3OC(CO)C(O)C(O)C3NC(C)=O)ccc2c1 Show InChI InChI=1S/C19H23NO7/c1-10(22)20-16-18(24)17(23)15(9-21)27-19(16)26-14-6-4-11-7-13(25-2)5-3-12(11)8-14/h3-8,15-19,21,23-24H,9H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072688 (CHEMBL111972 | N-[2-(6-Bromo-naphthalen-2-yloxy)-4...) Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1ccc2cc(Br)ccc2c1 Show InChI InChI=1S/C18H20BrNO6/c1-9(22)20-15-17(24)16(23)14(8-21)26-18(15)25-13-5-3-10-6-12(19)4-2-11(10)7-13/h2-7,14-18,21,23-24H,8H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072689 (CHEMBL112241 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...) Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1ccc2ccccc2c1 Show InChI InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072693 (CHEMBL114323 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...) Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1cccc2ccccc12 Show InChI InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50366328 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50283877 (CHEMBL125848 | N-((2R,3R,4S,5S,6S)-5-Amino-2-benzy...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](N)[C@@H](CO)O[C@H]1OCc1ccccc1 Show InChI InChI=1S/C15H22N2O5/c1-9(19)17-13-14(20)12(16)11(7-18)22-15(13)21-8-10-5-3-2-4-6-10/h2-6,11-15,18,20H,7-8,16H2,1H3,(H,17,19)/t11-,12-,13-,14+,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine Beta-1,4-galactosyltransferase at 100 microM concentration				Bioorg Med Chem Lett 4: 391-394 (1994) Article DOI: 10.1016/0960-894X(94)80002-2 BindingDB Entry DOI: 10.7270/Q2VT1S10
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072695 (CHEMBL115776 | N-(5-Amino-2-benzyloxy-4-hydroxy-6-...) Show SMILES CC(=O)NC1C(O)C(N)C(CO)OC1OCc1ccccc1 Show InChI InChI=1S/C15H22N2O5/c1-9(19)17-13-14(20)12(16)11(7-18)22-15(13)21-8-10-5-3-2-4-6-10/h2-6,11-15,18,20H,7-8,16H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50072691 (CHEMBL2303731 | N-[2-(3,5-Dihydroxy-2-hydroxymethy...) Show SMILES CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CS)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O |r| Show InChI InChI=1S/C15H27NO10S/c1-5(18)16-8-11(21)9(19)7(4-27)25-14(8)26-13-10(20)6(3-17)24-15(23-2)12(13)22/h6-15,17,19-22,27H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Research Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)				Bioorg Med Chem Lett 8: 3359-64 (1999) BindingDB Entry DOI: 10.7270/Q2GT5MB2
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50282179 ((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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM222427 (5'-deoxy-5'-[4-(β-D-glucopyranosyloxy...) Show SMILES OCC1O[C@@H](OCc2cn(C[C@H]3O[C@H](C(O)C3O)n3ccc(=O)[nH]c3=O)nn2)C(O)C(O)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+5	n/a	n/a	n/a	n/a	5.4	30
Silesian University of Technology					Assay Description β4GalT activity was assayed using UDP-Gal as glycosyl donor and (6-esculetinyl) β-D-glucopyranoside (esculine) as glycosyl acceptor. Assays...				Bioorg Chem 72: 80-88 (2017) Article DOI: 10.1016/j.bioorg.2017.03.015 BindingDB Entry DOI: 10.7270/Q24T6H7R
					More data for this Ligand-Target Pair
Beta-1,4-galactosyltransferase 1 (Bos taurus (Cattle))	BDBM50427121 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of bovine milk beta4-GalT1 using GlcNAcbeta-Bn as substrate after 1 hr relative to control				Bioorg Med Chem 21: 1305-11 (2013) Article DOI: 10.1016/j.bmc.2012.12.034 BindingDB Entry DOI: 10.7270/Q2J67J72
					More data for this Ligand-Target Pair