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SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C(O)=O)cc1

InChI Key: InChIKey=KHJJSYXHNCWBQU-NRFANRHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36694   
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)		BDBM36694
PNG
(Dansyltyrosine deriviative 11B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H27ClN4O7S2/c1-16-24(25(27)31(4)28-16)39(34,35)29-21(26(32)33)15-17-11-13-18(14-12-17)38-40(36,37)23-10-6-7-19-20(23)8-5-9-22(19)30(2)3/h5-14,21,29H,15H2,1-4H3,(H,32,33)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.61E+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