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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50201005'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)		BDBM50201005
PNG
(CHEMBL438603 | N-methyl-4-[1,1-(diphenyl)-1-[6-(th...)
Show SMILES Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C30H33N3O3/c1-24-23-33(29(35)31-28(24)34)19-11-3-4-12-22-36-30(25-13-7-5-8-14-25,26-15-9-6-10-16-26)27-17-20-32(2)21-18-27/h5-10,13-18,20-21,23H,3-4,11-12,19,22H2,1-2H3/p+1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK

J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair