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SMILES: COc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1

InChI Key: InChIKey=ZVUJCELLZSTHHF-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 = 114250   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM114250
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-[(2,6...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1
Show InChI InChI=1S/C22H19N5O7S/c1-33-19-11-17(24-22(25-19)34-2)26-35(31,32)14-9-7-13(8-10-14)23-18(28)12-27-20(29)15-5-3-4-6-16(15)21(27)30/h3-11H,12H2,1-2H3,(H,23,28)(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM114250
PNG
(2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-[(2,6...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1
Show InChI InChI=1S/C22H19N5O7S/c1-33-19-11-17(24-22(25-19)34-2)26-35(31,32)14-9-7-13(8-10-14)23-18(28)12-27-20(29)15-5-3-4-6-16(15)21(27)30/h3-11H,12H2,1-2H3,(H,23,28)(H,24,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair