Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50017630   

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))	BDBM50184757 ((3aR,4R,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42-,43+/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184758 ((3aS,4S,7R,7aR)-1,6-didodecyl-2,7-bis(methoxycarbo...) Show SMILES CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:12,40| Show InChI InChI=1S/C38H62O7/c1-5-7-9-11-13-15-17-19-21-23-25-28-27-30(36(40)41)33-32(31(28)37(42)44-3)29(34(35(33)39)38(43)45-4)26-24-22-20-18-16-14-12-10-8-6-2/h27,30-33H,5-26H2,1-4H3,(H,40,41)/t30-,31-,32-,33+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184755 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(methoxycar...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,48| Show InChI InChI=1S/C46H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35-38(44(48)49)41-40(39(36)45(50)52-3)37(42(43(41)47)46(51)53-4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,38-41H,5-34H2,1-4H3,(H,48,49)/t38-,39-,40-,41+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184757 ((3aR,4R,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42-,43+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184758 ((3aS,4S,7R,7aR)-1,6-didodecyl-2,7-bis(methoxycarbo...) Show SMILES CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:12,40| Show InChI InChI=1S/C38H62O7/c1-5-7-9-11-13-15-17-19-21-23-25-28-27-30(36(40)41)33-32(31(28)37(42)44-3)29(34(35(33)39)38(43)45-4)26-24-22-20-18-16-14-12-10-8-6-2/h27,30-33H,5-26H2,1-4H3,(H,40,41)/t30-,31-,32-,33+/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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184756 ((3aR,4S,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41+,42-,43+/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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184755 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(methoxycar...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,48| Show InChI InChI=1S/C46H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35-38(44(48)49)41-40(39(36)45(50)52-3)37(42(43(41)47)46(51)53-4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,38-41H,5-34H2,1-4H3,(H,48,49)/t38-,39-,40-,41+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184755 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(methoxycar...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,48| Show InChI InChI=1S/C46H78O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-35-38(44(48)49)41-40(39(36)45(50)52-3)37(42(43(41)47)46(51)53-4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35,38-41H,5-34H2,1-4H3,(H,48,49)/t38-,39-,40-,41+/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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184752 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52| Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184756 ((3aR,4S,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41+,42-,43+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184754 ((E)-methyl-3,6-dioxo-4-docosenoate | CHEMBL425779) Show SMILES CCCCCCCCCCCCCCCCC(=O)C=CC(=O)CC(=O)OC |w:18.17| Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)18-19-22(25)20-23(26)27-2/h18-19H,3-17,20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50143526 (CHEMBL366792 | Untenone A) Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=CC(=O)[C@H]1C(=O)OC |c:18| Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184752 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52| Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184750 ((2R,3S,4R)-4-hydroxy-5-[2-oxo-nonadec-ylidene]-1-p...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C39H57NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-34(41)31-35-38(42)36(39(43)44-2)37(33-26-21-18-22-27-33)40(35)30-29-32-24-19-17-20-25-32/h17-22,24-27,31,36-38,42H,3-16,23,28-30H2,1-2H3/t36-,37-,38-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184758 ((3aS,4S,7R,7aR)-1,6-didodecyl-2,7-bis(methoxycarbo...) Show SMILES CCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:12,40| Show InChI InChI=1S/C38H62O7/c1-5-7-9-11-13-15-17-19-21-23-25-28-27-30(36(40)41)33-32(31(28)37(42)44-3)29(34(35(33)39)38(43)45-4)26-24-22-20-18-16-14-12-10-8-6-2/h27,30-33H,5-26H2,1-4H3,(H,40,41)/t30-,31-,32-,33+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184748 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184750 ((2R,3S,4R)-4-hydroxy-5-[2-oxo-nonadec-ylidene]-1-p...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C39H57NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-34(41)31-35-38(42)36(39(43)44-2)37(33-26-21-18-22-27-33)40(35)30-29-32-24-19-17-20-25-32/h17-22,24-27,31,36-38,42H,3-16,23,28-30H2,1-2H3/t36-,37-,38-/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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184754 ((E)-methyl-3,6-dioxo-4-docosenoate | CHEMBL425779) Show SMILES CCCCCCCCCCCCCCCCC(=O)C=CC(=O)CC(=O)OC |w:18.17| Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)18-19-22(25)20-23(26)27-2/h18-19H,3-17,20H2,1-2H3	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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184748 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184759 ((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184753 ((1R,1bR,2R,5S,5aS)-1a,3-dihexadecyl-6-oxo-1a,1b,2,...) Show SMILES CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC |t:16| Show InChI InChI=1S/C48H82O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36-39(44(50)53-3)41-42(40(38)45(51)54-4)47(37-48(47,43(41)49)46(52)55-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35,37H2,1-5H3/t39-,40-,41+,42-,47+,48-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184753 ((1R,1bR,2R,5S,5aS)-1a,3-dihexadecyl-6-oxo-1a,1b,2,...) Show SMILES CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC |t:16| Show InChI InChI=1S/C48H82O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36-39(44(50)53-3)41-42(40(38)45(51)54-4)47(37-48(47,43(41)49)46(52)55-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35,37H2,1-5H3/t39-,40-,41+,42-,47+,48-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184761 ((3aR,4R,7S,7aS)-dimethyl 3,5-dihexadecyl-1-oxo-7-(...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)NCCc1ccccc1 |c:16,48| Show InChI InChI=1S/C54H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-44-42-46(52(57)55-41-40-43-36-32-31-33-37-43)49-48(47(44)53(58)60-3)45(50(51(49)56)54(59)61-4)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,42,46-49H,5-30,34-35,38-41H2,1-4H3,(H,55,57)/t46-,47-,48-,49+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184753 ((1R,1bR,2R,5S,5aS)-1a,3-dihexadecyl-6-oxo-1a,1b,2,...) Show SMILES CCCCCCCCCCCCCCCCC1=C[C@@H]([C@@H]2[C@H]([C@H]1C(=O)OC)[C@@]1(CCCCCCCCCCCCCCCC)C[C@@]1(C(=O)OC)C2=O)C(=O)OC |t:16| Show InChI InChI=1S/C48H82O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-36-39(44(50)53-3)41-42(40(38)45(51)54-4)47(37-48(47,43(41)49)46(52)55-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35,37H2,1-5H3/t39-,40-,41+,42-,47+,48-/m0/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	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184760 ((2S,3S,4S)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184749 ((2S,3S,4R)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184752 ((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52| Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184759 ((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184751 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxotetrad...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C30H47NO4/c1-4-6-7-8-9-10-11-12-13-17-20-25(32)23-27-29(33)28(30(34)35-3)26(5-2)31(27)22-21-24-18-15-14-16-19-24/h14-16,18-19,23,26,28-29,33H,4-13,17,20-22H2,1-3H3/t26-,28-,29-/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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184748 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184751 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxotetrad...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C30H47NO4/c1-4-6-7-8-9-10-11-12-13-17-20-25(32)23-27-29(33)28(30(34)35-3)26(5-2)31(27)22-21-24-18-15-14-16-19-24/h14-16,18-19,23,26,28-29,33H,4-13,17,20-22H2,1-3H3/t26-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184760 ((2S,3S,4S)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28+/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	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184749 ((2S,3S,4R)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28-/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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184757 ((3aR,4R,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41-,42-,43+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184756 ((3aR,4S,7S,7aS)-7-ethyl 2,4-dimethyl 3,5-dihexadec...) Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(=O)OCC |c:16,48| Show InChI InChI=1S/C48H82O7/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40(46(50)55-8-3)43-42(41(38)47(51)53-4)39(44(45(43)49)48(52)54-5)36-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h37,40-43H,6-36H2,1-5H3/t40-,41+,42-,43+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184760 ((2S,3S,4S)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184763 ((3aS,4S,7R,7aR)-1,6-diethyl-2,7-bis(methoxycarbony...) Show SMILES CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O |c:2,20| Show InChI InChI=1S/C18H22O7/c1-5-8-7-10(16(20)21)13-12(11(8)17(22)24-3)9(6-2)14(15(13)19)18(23)25-4/h7,10-13H,5-6H2,1-4H3,(H,20,21)/t10-,11-,12-,13+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184763 ((3aS,4S,7R,7aR)-1,6-diethyl-2,7-bis(methoxycarbony...) Show SMILES CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O |c:2,20| Show InChI InChI=1S/C18H22O7/c1-5-8-7-10(16(20)21)13-12(11(8)17(22)24-3)9(6-2)14(15(13)19)18(23)25-4/h7,10-13H,5-6H2,1-4H3,(H,20,21)/t10-,11-,12-,13+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184749 ((2S,3S,4R)-methyl 1-benzyl-2-ethyl-4-hydroxy-5-(2-...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1Cc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/t25-,27-,28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184759 ((2R,3S,4R)-methyl 1-(2-(1H-indol-3-yl)ethyl)-4-hyd...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C36H48N2O4/c1-3-4-5-6-7-8-9-10-11-15-20-29(39)25-32-35(40)33(36(41)42-2)34(27-18-13-12-14-19-27)38(32)24-23-28-26-37-31-22-17-16-21-30(28)31/h12-14,16-19,21-22,25-26,33-35,37,40H,3-11,15,20,23-24H2,1-2H3/t33-,34-,35-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184750 ((2R,3S,4R)-4-hydroxy-5-[2-oxo-nonadec-ylidene]-1-p...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@@H](N1CCc1ccccc1)c1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C39H57NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-34(41)31-35-38(42)36(39(43)44-2)37(33-26-21-18-22-27-33)40(35)30-29-32-24-19-17-20-25-32/h17-22,24-27,31,36-38,42H,3-16,23,28-30H2,1-2H3/t36-,37-,38-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184763 ((3aS,4S,7R,7aR)-1,6-diethyl-2,7-bis(methoxycarbony...) Show SMILES CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O |c:2,20| Show InChI InChI=1S/C18H22O7/c1-5-8-7-10(16(20)21)13-12(11(8)17(22)24-3)9(6-2)14(15(13)19)18(23)25-4/h7,10-13H,5-6H2,1-4H3,(H,20,21)/t10-,11-,12-,13+/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA nucleotidylexotransferase (Homo sapiens (Human))	BDBM50184751 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxotetrad...) Show SMILES CCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:14.13| Show InChI InChI=1S/C30H47NO4/c1-4-6-7-8-9-10-11-12-13-17-20-25(32)23-27-29(33)28(30(34)35-3)26(5-2)31(27)22-21-24-18-15-14-16-19-24/h14-16,18-19,23,26,28-29,33H,4-13,17,20-22H2,1-3H3/t26-,28-,29-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of human TdT				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50143526 (CHEMBL366792 | Untenone A) Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=CC(=O)[C@H]1C(=O)OC |c:18| Show InChI InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19,21,26H,3-16,18H2,1-2H3/t21-,23-/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	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50184762 (CHEMBL210842 | plakevulin A) Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC |c:18| Show InChI InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19-21,24,26H,3-16,18H2,1-2H3/t20-,21-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase alpha				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair
DNA polymerase beta (Homo sapiens (Human))	BDBM50184762 (CHEMBL210842 | plakevulin A) Show SMILES CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC |c:18| Show InChI InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-20(24)21(23)22(25)27-2/h17,19-21,24,26H,3-16,18H2,1-2H3/t20-,21-,23-/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	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
					More data for this Ligand-Target Pair