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BDBM36707 Dansyltyrosine deriviative 26B

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1

InChI Key: InChIKey=ZSHVTNAEKNXCDI-NDEPHWFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36707   
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 (TS)


(Lactobacillus casei)		BDBM36707
PNG
(Dansyltyrosine deriviative 26B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C33H26Cl3N3O10S2/c1-38(2)29-7-3-6-24-23(29)5-4-8-31(24)51(46,47)49-21-12-9-19(10-13-21)15-28(33(40)41)37-50(44,45)22-17-26(35)32(27(36)18-22)48-30-14-11-20(39(42)43)16-25(30)34/h3-14,16-18,28,37H,15H2,1-2H3,(H,40,41)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/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