BDBM21880 2,9-disubstituted 6-oxopurine, 12d::9-{4-[bis(2-hydroxyethyl)amino]butyl}-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES: OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O

InChI Key: InChIKey=QDYUJYCBYZEGGD-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 21880   

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
Thymidine kinase (Human herpesvirus 2)	BDBM21880 (2,9-disubstituted 6-oxopurine, 12d | 9-{4-[bis(2-h...) Show SMILES OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C19H26N6O3/c26-12-10-24(11-13-27)8-4-5-9-25-14-20-16-17(25)22-19(23-18(16)28)21-15-6-2-1-3-7-15/h1-3,6-7,14,26-27H,4-5,8-13H2,(H2,21,22,23,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM21880 (2,9-disubstituted 6-oxopurine, 12d | 9-{4-[bis(2-h...) Show SMILES OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C19H26N6O3/c26-12-10-24(11-13-27)8-4-5-9-25-14-20-16-17(25)22-19(23-18(16)28)21-15-6-2-1-3-7-15/h1-3,6-7,14,26-27H,4-5,8-13H2,(H2,21,22,23,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	7.5	37
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair