BDBM21894 1-{4-[6-oxo-2-(phenylamino)-6,9-dihydro-3H-purin-9-yl]butyl}-4-phenylpiperidine-4-carbonitrile dihydrochloride::2,9-disubstituted 6-oxopurine, 12r

SMILES: O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12

InChI Key: InChIKey=DJSGKGHDUOHEJB-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 = 21894   

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)	BDBM21894 (1-{4-[6-oxo-2-(phenylamino)-6,9-dihydro-3H-purin-9...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12 Show InChI InChI=1S/C27H29N7O/c28-19-27(21-9-3-1-4-10-21)13-17-33(18-14-27)15-7-8-16-34-20-29-23-24(34)31-26(32-25(23)35)30-22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-18H2,(H2,30,31,32,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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)	BDBM21894 (1-{4-[6-oxo-2-(phenylamino)-6,9-dihydro-3H-purin-9...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12 Show InChI InChI=1S/C27H29N7O/c28-19-27(21-9-3-1-4-10-21)13-17-33(18-14-27)15-7-8-16-34-20-29-23-24(34)31-26(32-25(23)35)30-22-11-5-2-6-12-22/h1-6,9-12,20H,7-8,13-18H2,(H2,30,31,32,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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