BDBM21892 2,9-disubstituted 6-oxopurine, 12p::9-[4-(3-methoxypiperidin-1-yl)butyl]-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES: COC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1

InChI Key: InChIKey=HDYMZDLRTYUGIJ-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 = 21892   

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)	BDBM21892 (2,9-disubstituted 6-oxopurine, 12p | 9-[4-(3-metho...) Show SMILES COC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1 Show InChI InChI=1S/C21H28N6O2/c1-29-17-10-7-12-26(14-17)11-5-6-13-27-15-22-18-19(27)24-21(25-20(18)28)23-16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H2,23,24,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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)	BDBM21892 (2,9-disubstituted 6-oxopurine, 12p | 9-[4-(3-metho...) Show SMILES COC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1 Show InChI InChI=1S/C21H28N6O2/c1-29-17-10-7-12-26(14-17)11-5-6-13-27-15-22-18-19(27)24-21(25-20(18)28)23-16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H2,23,24,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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