Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.9 BDBM50318170

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

Found 1 hit 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))	BDBM50318170 (CHEMBL1095387 | N-(4-Chlorobenzyl)-2-[(2-hydroxyet...) Show SMILES OCCOCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O Show InChI InChI=1S/C27H28ClN3O5/c28-21-3-1-18(2-4-21)14-29-27(34)24-16-31-22(17-36-10-7-32)13-20-11-19(12-23(25(20)31)26(24)33)15-30-5-8-35-9-6-30/h1-4,11-13,16,32H,5-10,14-15,17H2,(H,29,34)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha				Bioorg Med Chem Lett 20: 3039-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.115 BindingDB Entry DOI: 10.7270/Q2000281
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