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BDBM50239678 CHEMBL4077713

SMILES: CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)C(F)(F)F)C#N

InChI Key: InChIKey=SPNNSIVYARLBSM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239678   
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
Glycine hydroxymethyltransferase


(Plasmodium falciparum)		BDBM50239678
PNG
(CHEMBL4077713)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)C(F)(F)F)C#N |c:13|
Show InChI InChI=1S/C23H18F3N5OS/c1-11(2)22(16(10-28)20(29)32-21-19(22)12(3)30-31-21)15-7-13(9-27)6-14(8-15)17-4-5-18(33-17)23(24,25)26/h4-8,11H,29H2,1-3H3,(H,30,31)
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 388n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase

J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair