new BindingDB logo
myBDB logout

BDBM40770 2-naphthylsulfonyl

SMILES: NC(Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(O)=O

InChI Key: InChIKey=ZYUZLEUJKZZXNN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40770   
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)
BDBM40770
PNG
(2-naphthylsulfonyl)
Show SMILES NC(Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(O)=O
Show InChI InChI=1S/C19H17NO5S/c20-18(19(21)22)11-13-5-8-16(9-6-13)25-26(23,24)17-10-7-14-3-1-2-4-15(14)12-17/h1-10,12,18H,11,20H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of California San Francisco



Assay Description
Affinity assay of specificities of thymidylate synthase (TS)inhibitors


Chem Biol 8: 981-95 (2001)


BindingDB Entry DOI: 10.7270/Q24M92XD
More data for this
Ligand-Target Pair