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BDBM94716 (E)-N-[6-(isopropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide::(E)-N-[6-(propan-2-ylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide::(E)-N-[6-(propan-2-ylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide::MLS000697405::SMR000238027::cid_1646845

SMILES: COc1cc(\C=C\C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)NC(C)C)cc(OC)c1OC

InChI Key: InChIKey=HXBIPQXDUQGJRN-RMKNXTFCSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94716   
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
LARGE


(Homo sapiens (Human))
BDBM94716
PNG
((E)-N-[6-(isopropylsulfamoyl)-1,3-benzothiazol-2-y...)
Show SMILES COc1cc(\C=C\C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)NC(C)C)cc(OC)c1OC
Show InChI InChI=1S/C22H25N3O6S2/c1-13(2)25-33(27,28)15-7-8-16-19(12-15)32-22(23-16)24-20(26)9-6-14-10-17(29-3)21(31-5)18(11-14)30-4/h6-13,25H,1-5H3,(H,23,24,26)/b9-6+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.21E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair