BDBM21888 2,9-disubstituted 6-oxopurine, 12l::2-(phenylamino)-9-{4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butyl}-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES: O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC3CN3CCCCC3)cnc12

InChI Key: InChIKey=HAJPJLMUWGYXIF-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 = 21888   

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)	BDBM21888 (2,9-disubstituted 6-oxopurine, 12l | 2-(phenylamin...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC3CN3CCCCC3)cnc12 Show InChI InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-10-3-1-4-11-20)32(19-26-22)16-8-7-15-31-17-9-12-21(31)18-30-13-5-2-6-14-30/h1,3-4,10-11,19,21H,2,5-9,12-18H2,(H2,27,28,29,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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)	BDBM21888 (2,9-disubstituted 6-oxopurine, 12l | 2-(phenylamin...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC3CN3CCCCC3)cnc12 Show InChI InChI=1S/C25H35N7O/c33-24-22-23(28-25(29-24)27-20-10-3-1-4-11-20)32(19-26-22)16-8-7-15-31-17-9-12-21(31)18-30-13-5-2-6-14-30/h1,3-4,10-11,19,21H,2,5-9,12-18H2,(H2,27,28,29,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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