BDBM50239672 CHEMBL4093534

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

InChI Key: InChIKey=MYNAJOSKVWTPKD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50239672   

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
SHMT (Plasmodium falciparum)	BDBM50239672 (CHEMBL4093534) Show SMILES CC(C)C1(c2c[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:12| Show InChI InChI=1S/C23H22F3N5O3S2/c1-12(2)22(16(10-27)20(28)34-21-17(22)11-29-30-21)14-7-13(8-15(9-14)23(24,25)26)18-5-6-19(35-18)36(32,33)31(3)4/h5-9,11-12H,28H2,1-4H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/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
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