BDBM50225280 CHEMBL3144215

SMILES: CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)C3=N2)cc1

InChI Key: InChIKey=KFOQRLJVFKLMCQ-MYAYHUAGSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225280   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA polymerase (alpha/delta/epsilon) (Homo sapiens (Human))	BDBM50225280 (CHEMBL3144215) Show SMILES CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)C3=N2)cc1 |r,c:14,39,t:9| Show InChI InChI=1S/C20H28N5O13P3/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-17,26H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H,22,24,27)(H2,28,29,30)/t14-,15+,16+,17?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair