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BDBM100201 MLS000103799::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl(2-oxolanylmethyl)sulfamoyl]benzamide::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide::N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl(tetrahydrofurfuryl)sulfamoyl]benzamide::SMR000017708::cid_5310556

SMILES: CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1

InChI Key: InChIKey=JICAPKLAVDAQFT-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 = 100201   
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...)
BDBM100201
PNG
(MLS000103799 | N-([1,3]dioxolo[4,5-f][1,3]benzothi...)
Show SMILES CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1
Show InChI InChI=1S/C21H21N3O6S2/c1-24(11-14-3-2-8-28-14)32(26,27)15-6-4-13(5-7-15)20(25)23-21-22-16-9-17-18(30-12-29-17)10-19(16)31-21/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,22,23,25)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM100201
PNG
(MLS000103799 | N-([1,3]dioxolo[4,5-f][1,3]benzothi...)
Show SMILES CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2cc3OCOc3cc2s1
Show InChI InChI=1S/C21H21N3O6S2/c1-24(11-14-3-2-8-28-14)32(26,27)15-6-4-13(5-7-15)20(25)23-21-22-16-9-17-18(30-12-29-17)10-19(16)31-21/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.68E+3n/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/Q21Z431S
More data for this
Ligand-Target Pair