BDBM21895 2,9-disubstituted 6-oxopurine, 12s::9-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}butyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES: OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=NXTQVMUVBFNMQZ-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 = 21895   

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)	BDBM21895 (2,9-disubstituted 6-oxopurine, 12s | 9-(4-{4-[4-ch...) Show SMILES OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H28ClF3N6O2/c28-21-9-8-18(16-20(21)27(29,30)31)26(39)10-14-36(15-11-26)12-4-5-13-37-17-32-22-23(37)34-25(35-24(22)38)33-19-6-2-1-3-7-19/h1-3,6-9,16-17,39H,4-5,10-15H2,(H2,33,34,35,38)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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)	BDBM21895 (2,9-disubstituted 6-oxopurine, 12s | 9-(4-{4-[4-ch...) Show SMILES OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H28ClF3N6O2/c28-21-9-8-18(16-20(21)27(29,30)31)26(39)10-14-36(15-11-26)12-4-5-13-37-17-32-22-23(37)34-25(35-24(22)38)33-19-6-2-1-3-7-19/h1-3,6-9,16-17,39H,4-5,10-15H2,(H2,33,34,35,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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