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BDBM62499 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[{(4-dimethylamino-phenyl)-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-(2,3-dimethyl-phenyl)-amide]::4-amino-5-N-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-[1-[4-(dimethylamino)phenyl]-2-keto-2-(tetrahydrofurfurylamino)ethyl]-N'-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide::4-amino-N5-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(2-oxolanylmethylamino)ethyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide::4-azanyl-N5-[1-[4-(dimethylamino)phenyl]-2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-N5-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide::MLS001217599::SMR000600070::cid_3185717

SMILES: CN(C)c1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C)C(=O)NCC1CCCO1

InChI Key: InChIKey=XAYHHUOMJRVIFS-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 = 62499   
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)
BDBM62499
PNG
(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Show SMILES CN(C)c1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C)C(=O)NCC1CCCO1
Show InChI InChI=1S/C28H34N6O4S/c1-16-7-5-9-21(17(16)2)34(28(37)25-22(29)23(26(30)35)32-39-25)24(18-10-12-19(13-11-18)33(3)4)27(36)31-15-20-8-6-14-38-20/h5,7,9-13,20,24H,6,8,14-15,29H2,1-4H3,(H2,30,35)(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.73E+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)
BDBM62499
PNG
(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
Show SMILES CN(C)c1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C)C(=O)NCC1CCCO1
Show InChI InChI=1S/C28H34N6O4S/c1-16-7-5-9-21(17(16)2)34(28(37)25-22(29)23(26(30)35)32-39-25)24(18-10-12-19(13-11-18)33(3)4)27(36)31-15-20-8-6-14-38-20/h5,7,9-13,20,24H,6,8,14-15,29H2,1-4H3,(H2,30,35)(H,31,36)
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