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BDBM95680 MLS000097457::N-(2-methoxyphenyl)-4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzamide::N-(2-methoxyphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide::N-(2-methoxyphenyl)-4-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzamide::N-(2-methoxyphenyl)-4-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]benzamide::SMR000067744::cid_2094416

SMILES: COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1

InChI Key: InChIKey=UCULZAJVEZGTGY-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 = 95680   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95680
PNG
(MLS000097457 | N-(2-methoxyphenyl)-4-[2-[(1-methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
Show InChI InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95680
PNG
(MLS000097457 | N-(2-methoxyphenyl)-4-[2-[(1-methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
Show InChI InChI=1S/C18H18N6O3S/c1-24-18(21-22-23-24)28-11-16(25)19-13-9-7-12(8-10-13)17(26)20-14-5-3-4-6-15(14)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 437n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair