Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50049254   

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
DNA polymerase beta (Homo sapiens (Human))	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase-beta				Bioorg Med Chem Lett 27: 1840-1847 (2017) Article DOI: 10.1016/j.bmcl.2017.02.037 BindingDB Entry DOI: 10.7270/Q2M047Q1
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase beta (Homo sapiens (Human))	BDBM50237537 (CHEMBL4093601) Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1c1cnc2c(N)ncnn12 |r| Show InChI InChI=1S/C11H17FN5O12P3/c1-11(12)7(18)6(3-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(11)5-2-14-10-9(13)15-4-16-17(5)10/h2,4,6-8,18H,3H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t6-,7-,8+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase-beta				Bioorg Med Chem Lett 27: 1840-1847 (2017) Article DOI: 10.1016/j.bmcl.2017.02.037 BindingDB Entry DOI: 10.7270/Q2M047Q1
					More data for this Ligand-Target Pair