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SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)noc2C)C(O)=O)cc1

InChI Key: InChIKey=XBIJCCREDDRRSL-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36695   
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
Thymidylate synthase


(Lactobacillus casei)		BDBM36695
PNG
(Dansyltyrosine deriviative 12B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)noc2C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H27N3O8S2/c1-16-25(17(2)36-27-16)38(32,33)28-22(26(30)31)15-18-11-13-19(14-12-18)37-39(34,35)24-10-6-7-20-21(24)8-5-9-23(20)29(3)4/h5-14,22,28H,15H2,1-4H3,(H,30,31)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+5n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...

Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair