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BDBM36712 Dansyltyrosine deriviative 31B

SMILES: CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O

InChI Key: InChIKey=CBSVMHNVKVZNJM-UMSFTDKQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36712   
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)		BDBM36712
PNG
(Dansyltyrosine deriviative 31B)
Show SMILES CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r|
Show InChI InChI=1S/C39H45N3O7S2/c1-5-7-25-42(26-8-6-2)36-18-10-15-32-31(36)14-11-19-37(32)50(45,46)40-34(39(43)44)27-28-21-23-29(24-22-28)49-51(47,48)38-20-12-13-30-33(38)16-9-17-35(30)41(3)4/h9-24,34,40H,5-8,25-27H2,1-4H3,(H,43,44)/t34-/m0/s1
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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

Similars
Article
PubMed
n/an/a 5.30E+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