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BDBM61949 KSC-4-295::KUC105342N::N-(3-bromophenyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide::N-(3-bromophenyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide (11)::N-(3-bromophenyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide::N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide::cid_45105114

SMILES: Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1

InChI Key: InChIKey=PLNMDGZBZDYYEK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 61949   
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
glucose-6-phosphate dehydrogenase


(Leuconostoc mesenteroides)
BDBM61949
PNG
(KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-ke...)
Show SMILES Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C53J9J
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM61949
PNG
(KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-ke...)
Show SMILES Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/a7.523



University of Wisconsin-Milwaukee



Assay Description
Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indi...


ACS Chem Biol 9: 2393-2403 (2014)


Article DOI: 10.1021/cb500512z
BindingDB Entry DOI: 10.7270/Q2G15ZHH
More data for this
Ligand-Target Pair
hexokinase


(Trypanosoma brucei)
BDBM61949
PNG
(KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-ke...)
Show SMILES Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African slee...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21834XK
More data for this
Ligand-Target Pair