Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-(apurinic or apyrimidinic site) endonuclease' and Ligand = 'BDBM50530029'   

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-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM50530029 (CHEMBL4567730) Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H39F3N4O7S/c1-25-12-18-30(19-13-25)55(51,52)47-21-6-10-34(47)37-26(2)7-5-11-36(48)53-22-20-35(54-29-16-14-28(15-17-29)40(41,42)43)39(50)45-33(38(49)46-37)23-27-24-44-32-9-4-3-8-31(27)32/h3-10,12-19,21,24,26,33,35,37,44H,11,20,22-23H2,1-2H3,(H,45,50)(H,46,49)/b7-5+/t26-,33-,35?,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...				J Med Chem 62: 1971-1988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01529 BindingDB Entry DOI: 10.7270/Q2G73J6T
					More data for this Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM50530029 (CHEMBL4567730) Show SMILES C[C@H]1\C=C\CC(=O)OCCC(Oc2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| Show InChI InChI=1S/C40H39F3N4O7S/c1-25-12-18-30(19-13-25)55(51,52)47-21-6-10-34(47)37-26(2)7-5-11-36(48)53-22-20-35(54-29-16-14-28(15-17-29)40(41,42)43)39(50)45-33(38(49)46-37)23-27-24-44-32-9-4-3-8-31(27)32/h3-10,12-19,21,24,26,33,35,37,44H,11,20,22-23H2,1-2H3,(H,45,50)(H,46,49)/b7-5+/t26-,33-,35?,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boston University Curated by ChEMBL					Assay Description Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled tw...				J Med Chem 62: 1971-1988 (2019) Article DOI: 10.1021/acs.jmedchem.8b01529 BindingDB Entry DOI: 10.7270/Q2G73J6T
					More data for this Ligand-Target Pair