Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-(apurinic or apyrimidinic site) endonuclease' and Ligand = 'BDBM50530037'   

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))	BDBM50530037 (CHEMBL4473257) Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2| Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,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	1.30E+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))	BDBM50530037 (CHEMBL4473257) Show SMILES C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(F)(F)F |r,t:2| Show InChI InChI=1S/C39H38F3N5O5S/c1-24-12-18-29(19-13-24)53(51,52)47-20-6-10-34(47)37-25(2)7-5-11-35(48)44-32(26-14-16-28(17-15-26)39(40,41)42)22-36(49)45-33(38(50)46-37)21-27-23-43-31-9-4-3-8-30(27)31/h3-10,12-20,23,25,32-33,37,43H,11,21-22H2,1-2H3,(H,44,48)(H,45,49)(H,46,50)/b7-5+/t25-,32-,33-,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	1.30E+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