BDBM21866 2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine::9-(4-hydroxybutyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one::CHEMBL406254::HBPG

SMILES: c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2

InChI Key: InChIKey=JHBXNPBKSPYOFT-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches 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 6 hits for monomerid = 21866   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidine kinase (HHV-1)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.5	37
TBA									Citation and Details
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Thymidine kinase (HHV-2)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidine kinase (HHV-1)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Thymidine kinase (HHV-2)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Thymidine kinase (CeHV-1)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Thymidine kinase, cytosolic (Human)	BDBM21866 (CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair