BDBM21868 2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-one::9-(4-hydroxybutyl)guanine::CHEMBL258513::HBG

SMILES: Nc1nc2n(CCCCO)cnc2c(=O)[nH]1

InChI Key: InChIKey=DVQJDXCYEPGOCF-UHFFFAOYSA-N

Data: 2 KI  3 IC50

PDB links: 903 PDB IDs contain this monomer as substructures. 903 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 5 hits for monomerid = 21868   

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, cytosolic (Homo sapiens (Human))	BDBM21868 (2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...) Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards HSV-1 thymidine kinase was determined				J Med Chem 38: 49-57 (1995) BindingDB Entry DOI: 10.7270/Q2G44PBM
					More data for this Ligand-Target Pair
Purine-nucleoside phosphorylase (Rattus norvegicus)	BDBM21868 (2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...) Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)				J Med Chem 37: 2477-80 (1994) BindingDB Entry DOI: 10.7270/Q21G0K9T
					More data for this Ligand-Target Pair
Thymidine kinase (Macacine herpesvirus 1)	BDBM21868 (2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...) Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation				Antimicrob Agents Chemother 51: 2028-34 (2007) Article DOI: 10.1128/AAC.01284-06 BindingDB Entry DOI: 10.7270/Q2RN38R9
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM21868 (2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...) Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+4	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
Thymidine kinase (Human herpesvirus 2)	BDBM21868 (2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...) Show SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C9H13N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h5,15H,1-4H2,(H3,10,12,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+5	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