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SMILES: Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1

InChI Key: InChIKey=ZTBXVYGGGWPRMD-UHFFFAOYSA-N

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 2 hits for monomerid = 241983   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM241983
PNG
(4-(5-{4-[5-(2,4-Dihydroxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+4n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM241983
PNG
(4-(5-{4-[5-(2,4-Dihydroxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/an/an/an/a8.02



University of Life Sciences



Assay Description
Seven different concentrations of the synthesized compounds in the range 10^−3-10^−9 M were measured at 412 nm. All the assays were under...


J Enzyme Inhib Med Chem 28: 816-23 (2013)


Article DOI: 10.3109/14756366.2012.688041
BindingDB Entry DOI: 10.7270/Q2WW7GJ8
More data for this
Ligand-Target Pair