Compile Data Set for Download or QSAR

Found 7 hits of affinity data for UniProtKB/TrEMBL: O00764   

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
Pyridoxal kinase (Homo sapiens (Human))	BDBM50016821 (CHEMBL3244684) Show SMILES Cc1ncc(CO)c(C=C)c1O Show InChI InChI=1S/C9H11NO2/c1-3-8-7(5-11)4-10-6(2)9(8)12/h3-4,11-12H,1,5H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of pyridoxal phosphokinase (unknown origin)				J Med Chem 20: 567-72 (1977) BindingDB Entry DOI: 10.7270/Q2DN46MZ
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM50009722 (CHEMBL3245250) Show SMILES OCc1cnc(Cl)c(O)c1CO Show InChI InChI=1S/C7H8ClNO3/c8-7-6(12)5(3-11)4(2-10)1-9-7/h1,10-12H,2-3H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of pyridoxal phosphokinase (unknown origin)				J Med Chem 20: 745-9 (1977) BindingDB Entry DOI: 10.7270/Q2M90B5P
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM50009721 (CHEMBL3244690) Show SMILES Cl.Cc1c(CO)cnc(C=C)c1O Show InChI InChI=1S/C9H11NO2.ClH/c1-3-8-9(12)6(2)7(5-11)4-10-8;/h3-4,11-12H,1,5H2,2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of pyridoxal phosphokinase (unknown origin) using ATP-gamma-[32P]				J Med Chem 20: 1-5 (1977) BindingDB Entry DOI: 10.7270/Q2R212W0
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM50009724 (CHEMBL3245268) Show SMILES OCc1cnc(C#C)c(O)c1CO Show InChI InChI=1S/C9H9NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h1,3,11-13H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of pyridoxal phosphokinase (unknown origin)				J Med Chem 20: 745-9 (1977) BindingDB Entry DOI: 10.7270/Q2M90B5P
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM50016820 (CHEMBL3275146) Show SMILES Cc1ncc(CO)c(C#C)c1O Show InChI InChI=1S/C9H9NO2/c1-3-8-7(5-11)4-10-6(2)9(8)12/h1,4,11-12H,5H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive inhibition of pyridoxal phosphokinase (unknown origin)				J Med Chem 20: 567-72 (1977) BindingDB Entry DOI: 10.7270/Q2DN46MZ
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM207992 (ML349) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1 Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by flu...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair
Pyridoxal kinase (Homo sapiens (Human))	BDBM50212216 (CHEMBL3944678) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccc(cc4)N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C43H54N8O9S3/c52-39(8-4-2-6-36-40-35(28-61-36)45-43(54)46-40)44-13-19-57-21-23-59-24-22-58-20-18-51-26-31(47-48-51)27-60-33-11-9-32(10-12-33)49-14-16-50(17-15-49)42(53)37-25-30-29-63(55,56)38-7-3-1-5-34(38)41(30)62-37/h1,3,5,7,9-12,25-26,35-36,40H,2,4,6,8,13-24,27-29H2,(H,44,52)(H2,45,46,54)/t35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by flu...				ACS Med Chem Lett 8: 215-220 (2017) Article DOI: 10.1021/acsmedchemlett.6b00441 BindingDB Entry DOI: 10.7270/Q2V98B7S
					More data for this Ligand-Target Pair