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BDBM62454 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide::2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide::2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-(3-fluoro-4-methylphenyl)acetamide::2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide::MLS000724890::SMR000237115::cid_7206330

SMILES: Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1F

InChI Key: InChIKey=IRLGKUIBSKTQKH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 62454   
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
EBNA-1 protein


(Human herpesvirus 4)
BDBM62454
PNG
(2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl...)
Show SMILES Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1F
Show InChI InChI=1S/C20H16FN3O3S/c1-12-2-4-14(9-15(12)21)22-19(25)10-28-20-7-5-16(23-24-20)13-3-6-17-18(8-13)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.44E+3n/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/Q2RJ4GXC
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM62454
PNG
(2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl...)
Show SMILES Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1F
Show InChI InChI=1S/C20H16FN3O3S/c1-12-2-4-14(9-15(12)21)22-19(25)10-28-20-7-5-16(23-24-20)13-3-6-17-18(8-13)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+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 (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957MN
More data for this
Ligand-Target Pair