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SMILES: [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nnc(C)s1

InChI Key: InChIKey=NQNCLYCHYSUUSL-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 = 64774   
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
Serine/threonine-protein phosphatase


(Homo sapiens (Human))
BDBM64774
PNG
(2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-7-ox...)
Show SMILES [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nnc(C)s1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Show InChI InChI=1S/C11H11N3O4S/c1-4-13-14-11(19-4)12-9(15)7-5-2-3-6(18-5)8(7)10(16)17/h2-3,5-8H,1H3,(H,16,17)(H,12,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit


(Homo sapiens (Human))
BDBM64774
PNG
(2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-7-ox...)
Show SMILES [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nnc(C)s1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
Show InChI InChI=1S/C11H11N3O4S/c1-4-13-14-11(19-4)12-9(15)7-5-2-3-6(18-5)8(7)10(16)17/h2-3,5-8H,1H3,(H,16,17)(H,12,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair