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SMILES: Clc1cccc(c1)-n1cc(nn1)-c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1

InChI Key: InChIKey=MPKQQDVTHRCHHE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50512146   
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
Polyunsaturated fatty acid lipoxygenase ALOX15B


(Rattus norvegicus)		BDBM50512146
PNG
(CHEMBL4459098)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C18H13ClN6O4S/c19-12-2-1-3-14(8-12)25-10-15(22-24-25)11-4-6-13(7-5-11)23-30(28,29)16-9-20-18(27)21-17(16)26/h1-10,23H,(H2,20,21,26,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



China Medical University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method

Eur J Med Chem 171: 282-296 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.047
BindingDB Entry DOI: 10.7270/Q2D79FQZ
More data for this
Ligand-Target Pair