Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50024370   

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))	BDBM50079577 ((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242105 (CHEMBL470873 | armenin-B) Show SMILES CO[C@@H]1C[C@]2(CC=C)[C@H](C)[C@H](OC2=C(OC)C1=O)c1ccc2OCOc2c1 |r,t:13| Show InChI InChI=1S/C21H24O6/c1-5-8-21-10-16(23-3)17(22)19(24-4)20(21)27-18(12(21)2)13-6-7-14-15(9-13)26-11-25-14/h5-7,9,12,16,18H,1,8,10-11H2,2-4H3/t12-,16-,18+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242088 ((7S,8R,1'S,5'S,6'R)-delta 2',8'-5',6'-Dihydroxy-3'...) Show SMILES COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](O)([C@@H]2O)C1=O |r,t:2,TLB:23:22:10.8:3.24.2| Show InChI InChI=1S/C20H22O6/c1-4-7-19-9-15(24-3)17(21)20(23,18(19)22)16(11(19)2)12-5-6-13-14(8-12)26-10-25-13/h4-6,8-9,11,16,18,22-23H,1,7,10H2,2-3H3/t11-,16+,18-,19-,20-/m1/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	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242090 (2,4-Dimethoxy-5,6-methylenedioxy-1-(2-propenyl)ben...) Show SMILES COc1cc(OC)c(CC=C)c2OCOc12 Show InChI InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10(14-3)12-11(8)15-7-16-12/h4,6H,1,5,7H2,2-3H3	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	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242104 ((7S,8R,1'S,5'S,6'R)-delta 2',8'-3',6'-dihydroxy-5'...) Show SMILES CO[C@@]12[C@H](O)[C@](CC=C)(CC(=O)C1=O)[C@H](C)[C@H]2c1ccc2OCOc2c1 |r,THB:4:3:16.14:9.12.10| Show InChI InChI=1S/C20H22O6/c1-4-7-19-9-13(21)17(22)20(24-3,18(19)23)16(11(19)2)12-5-6-14-15(8-12)26-10-25-14/h4-6,8,11,16,18,23H,1,7,9-10H2,2-3H3/t11-,16+,18-,19-,20-/m1/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	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242092 (CHEMBL511441 | canellin A) Show SMILES CO[C@H]1C[C@@]2(CC=C)[C@@H](C)[C@H](c3ccc4OCOc4c3)[C@](OC)([C@@H]2O)[C@@H]1O |r,TLB:24:23:10.8:3.25.2| Show InChI InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16-,17+,18+,19+,20-,21+/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	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242093 (CHEMBL469849 | canellin C) Show SMILES CO[C@@]12[C@H](O)[C@@](CC=C)(CC(=O)[C@H]1O)[C@@H](C)[C@@H]2c1ccc2OCOc2c1 |r,THB:4:3:16.14:9.12.10| Show InChI InChI=1S/C20H24O6/c1-4-7-19-9-13(21)17(22)20(24-3,18(19)23)16(11(19)2)12-5-6-14-15(8-12)26-10-25-14/h4-6,8,11,16-18,22-23H,1,7,9-10H2,2-3H3/t11-,16+,17+,18+,19-,20+/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	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242107 (1-allyl-2,6-dimethoxy-3,4-methylenedioxybenzene | ...) Show SMILES COc1cc2OCOc2c(OC)c1CC=C Show InChI InChI=1S/C12H14O4/c1-4-5-8-9(13-2)6-10-12(11(8)14-3)16-7-15-10/h4,6H,1,5,7H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242091 (2,6-Dimethoxy-3,4-methylenedioxycinnamyl alcohol |...) Show SMILES COc1cc2OCOc2c(OC)c1\C=C\CO Show InChI InChI=1S/C12H14O5/c1-14-9-6-10-12(17-7-16-10)11(15-2)8(9)4-3-5-13/h3-4,6,13H,5,7H2,1-2H3/b4-3+	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	4.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242103 (3'-methoxyguianin | CHEMBL513395) Show SMILES COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](OC)([C@@H]2O)C1=O |r,t:2,TLB:24:23:10.8:3.25.2| Show InChI InChI=1S/C21H24O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9-10,12,17,19,23H,1,8,11H2,2-4H3/t12-,17+,19-,20-,21-/m1/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242089 ((7S,8R,1'S,5'S,6'R)-delta 2',8'-3',5',6'-Trihydrox...) Show SMILES C[C@@H]1[C@@H](c2ccc3OCOc3c2)[C@]2(O)[C@H](O)[C@]1(CC=C)CC(=O)C2=O |r,TLB:15:14:2.1:20.23.21| Show InChI InChI=1S/C19H20O6/c1-3-6-18-8-12(20)16(21)19(23,17(18)22)15(10(18)2)11-4-5-13-14(7-11)25-9-24-13/h3-5,7,10,15,17,22-23H,1,6,8-9H2,2H3/t10-,15+,17-,18-,19-/m1/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242106 (CHEMBL470874 | dillapiol | dillapiole) Show SMILES COc1c2OCOc2cc(CC=C)c1OC Show InChI InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50242108 (CHEMBL506422 | omega-hydroxyisodillapiole) Show SMILES COc1c2OCOc2cc(\C=C\CO)c1OC Show InChI InChI=1S/C12H14O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-4,6,13H,5,7H2,1-2H3/b4-3+	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta (unknown origin) lyase activity				J Nat Prod 67: 964-7 (2004) Article DOI: 10.1021/np030507y BindingDB Entry DOI: 10.7270/Q2FQ9WDF
					More data for this Ligand-Target Pair