Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Polypeptide N-acetylgalactosaminyltransferase 2' and Ligand = 'BDBM4078'   

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
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))	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))	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	n/a	n/a	n/a	n/a	2.37E+3	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as association rate by SPR analysis				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	n/a	371	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysis				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	n/a	n/a	n/a	0.000879	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation rate by SPR analysis				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