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BDBM239 (4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]amine::AB00418243-04::AC1MMF69::F0646-1305::MLS-0049708.0001::MLS-0049708.0002::MLS000045460::MolPort-003-038-736::N-(4-methoxy-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine::SMR000027219::UNM000002567502::ZINC04110653::cid_3237799::potassium chloride

SMILES: COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12

InChI Key: InChIKey=XHTBEVQYIUETPR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 239   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM239
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12
Show InChI InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.56E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM239
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(2-thienyl)-1...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12
Show InChI InChI=1S/C14H10N4O2S2/c1-19-8-4-2-5-9-11(8)15-14(22-9)16-13-18-17-12(20-13)10-6-3-7-21-10/h2-7H,1H3,(H,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.27E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair