Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional purine biosynthesis protein ATIC' and Ligand = 'BDBM50243486'   

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
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50243486 (CHEMBL4081385) Show SMILES O[C@@H]1CN(C[C@@H]1F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H15F2N3O4S2/c18-11-5-9-3-4-20-17(24)10(9)6-13(11)21-28(25,26)16-2-1-15(27-16)22-7-12(19)14(23)8-22/h1-6,12,14,21,23H,7-8H2,(H,20,24)/t12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substra...				J Med Chem 60: 9599-9616 (2017) Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50243486 (CHEMBL4081385) Show SMILES O[C@@H]1CN(C[C@@H]1F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F |r| Show InChI InChI=1S/C17H15F2N3O4S2/c18-11-5-9-3-4-20-17(24)10(9)6-13(11)21-28(25,26)16-2-1-15(27-16)22-7-12(19)14(23)8-22/h1-6,12,14,21,23H,7-8H2,(H,20,24)/t12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method				J Med Chem 60: 9599-9616 (2017) Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J
					More data for this Ligand-Target Pair