Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.7 BDBM50153110

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 alpha catalytic subunit (Homo sapiens (Human))	BDBM50153110 (2-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO Show InChI InChI=1S/C29H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24?,25-,26?,27?,28+,29-/m1/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	>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
DNA polymerase beta (Rattus norvegicus)	BDBM50153110 (2-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO Show InChI InChI=1S/C29H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24?,25-,26?,27?,28+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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