Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.7 BDBM50153108

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 (Rattus norvegicus)	BDBM50153108 (1-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO)C(C)C |t:13| Show InChI InChI=1S/C31H52O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-29(33)19-32)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-29,32-33H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50153108 (1-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...) Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO)C(C)C |t:13| Show InChI InChI=1S/C31H52O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-29(33)19-32)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-29,32-33H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
					More data for this Ligand-Target Pair