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BDBM64803 2-bromanyl-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide::2-bromo-N-[2-[(3,4-dichlorobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide::2-bromo-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide::2-bromo-N-[2-[(3,4-dichlorophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide::MLS-0435409.0001::cid_1814673

SMILES: Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl

InChI Key: InChIKey=PEKOUPJKAMGSLZ-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 = 64803   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM64803
PNG
(2-bromanyl-N-[2-[(3,4-dichlorophenyl)methylsulfany...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl
Show InChI InChI=1S/C21H13BrCl2N2OS2/c22-15-4-2-1-3-14(15)20(27)25-13-6-8-18-19(10-13)29-21(26-18)28-11-12-5-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,27)
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64803
PNG
(2-bromanyl-N-[2-[(3,4-dichlorophenyl)methylsulfany...)
Show SMILES Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl
Show InChI InChI=1S/C21H13BrCl2N2OS2/c22-15-4-2-1-3-14(15)20(27)25-13-6-8-18-19(10-13)29-21(26-18)28-11-12-5-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair