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SMILES: CCN(CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(sc12)C#CCO

InChI Key: InChIKey=OPBJVFBXYFEREU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172516   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
DNA polymerase catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50172516
PNG
(7-(2-Diethylamino-ethyl)-2-(3-hydroxy-prop-1-ynyl)...)
Show SMILES CCN(CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(sc12)C#CCO
Show InChI InChI=1S/C24H26ClN3O3S/c1-3-27(4-2)11-12-28-16-21(23(31)26-15-17-7-9-18(25)10-8-17)22(30)20-14-19(6-5-13-29)32-24(20)28/h7-10,14,16,29H,3-4,11-13,15H2,1-2H3,(H,26,31)
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/a7.5n/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...

J Med Chem 48: 5794-804 (2005)


Article DOI: 10.1021/jm050162b
BindingDB Entry DOI: 10.7270/Q2G44R39
More data for this
Ligand-Target Pair