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BDBM75446 2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide::2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide::2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)ethanamide::2-methoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acetamide::MLS000034756::SMR000005332::cid_649189

SMILES: COCC(=O)Nc1nnc(s1)-c1cccs1

InChI Key: InChIKey=BGOHMAJTGWYSNO-UHFFFAOYSA-N

Data: 2 EC50

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 = 75446   
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM75446
PNG
(2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-y...)
Show SMILES COCC(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.26E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Pregnane X receptor


(Homo sapiens (Human))
BDBM75446
PNG
(2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-y...)
Show SMILES COCC(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.16E+5n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q23XQJ
More data for this
Ligand-Target Pair