Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50024698   

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))	BDBM50241922 (CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...) Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241929 (CHEMBL520861 | Mahureone D) Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6]-[#6](-[#6])-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8| Show InChI InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,26H,10-11,13,15-18H2,1-9H3,(H,34,35)	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241923 (CHEMBL521208 | mahureone A) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10| Show InChI InChI=1S/C35H46O6/c1-21(2)14-15-25-20-35(17-16-22(3)4)31(39)29(27(36)18-23(5)6)33(40)41-32(35)30(34(25,7)8)26(19-28(37)38)24-12-10-9-11-13-24/h9-14,16,23,25-26,29H,15,17-20H2,1-8H3,(H,37,38)	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	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241924 (CHEMBL486797 | Mahureone B) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10| Show InChI InChI=1S/C35H46O6/c1-9-23(6)30(38)28-31(39)35(18-17-22(4)5)20-25(16-15-21(2)3)34(7,8)29(32(35)41-33(28)40)26(19-27(36)37)24-13-11-10-12-14-24/h10-15,17,23,25-26,28H,9,16,18-20H2,1-8H3,(H,36,37)	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	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50241930 (CHEMBL486194 | Mahureone E) Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8| Show InChI InChI=1S/C32H48O6/c1-10-12-22(17-24(33)34)26-29-32(16-15-20(5)6,18-23(31(26,8)9)14-13-19(3)4)28(36)25(30(37)38-29)27(35)21(7)11-2/h13,15,21-23,25H,10-12,14,16-18H2,1-9H3,(H,33,34)	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	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research (CNRS)-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry				J Nat Prod 68: 979-84 (2005) Article DOI: 10.1021/np049676o BindingDB Entry DOI: 10.7270/Q2VT1RVB
					More data for this Ligand-Target Pair