Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 2211   

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
Glutamate--tRNA ligase (Escherichia coli)	BDBM18122 ((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...) Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.80	-50.8	n/a	n/a	n/a	n/a	n/a	7.2	37
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C
					More data for this Ligand-Target Pair
Probable glutamate--tRNA ligase, mitochondrial (Mus musculus (mouse))	BDBM18122 ((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...) Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	-41.5	n/a	n/a	n/a	n/a	n/a	8.0	30
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C
					More data for this Ligand-Target Pair
Glutamate--tRNA ligase (Escherichia coli)	BDBM18123 ((5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H19N7O8S/c16-12-9-13(18-4-17-12)22(5-19-9)15-11(25)10(24)7(30-15)3-29-31(27,28)21-14(26)6-1-2-8(23)20-6/h4-7,10-11,15,24-25H,1-3H2,(H,20,23)(H,21,26)(H2,16,17,18)/t6-,7+,10+,11+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	-28.6	n/a	n/a	n/a	n/a	n/a	7.2	37
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C
					More data for this Ligand-Target Pair