Compile Data Set for Download or QSAR

Found 13 hits of ic50 data for polymerid = 50007195   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50215545 (CHEMBL6338) Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50215545 (CHEMBL6338) Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc2 peptide as substrate incubated for 30 mins by HPLC-based enzy...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50215545 (CHEMBL6338) Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc7 peptide as substrate incubated for 30 mins by HPLC-based enzy...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50085536 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50215545 (CHEMBL6338) Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc5AC peptide as substrate incubated for 30 mins by HPLC-based en...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 W282A mutant expressed in HEK293 cells using EA2 peptide as substrate by...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50215545 (CHEMBL6338) Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 W282A mutant expressed in HEK293 cells using EA2 peptide as substrate by...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50214608 (CHEMBL279564 | pyrene) Show SMILES c1cc2ccc3cccc4ccc(c1)c2c34 Show InChI InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50521707 (CHEMBL487203) Show SMILES COc1c(O)cc2c3c1oc(=O)c1cc(O)c(OC)c(oc2=O)c31 Show InChI InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50521706 (CHEMBL1526978) Show SMILES Oc1ccc2c(c1)oc(=O)c1ccccc21 Show InChI InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020 BindingDB Entry DOI: 10.7270/Q2988BDQ
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50200111 (CHEMBL3981566) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50200114 (CHEMBL3920498) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H16N4O/c1-14(25)21-18-8-10-19(11-9-18)24-13-20(22-23-24)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair