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BDBM62078 (5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester::2-[[5-[4-(2-thenylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester::2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester::MLS000123364::SMR000123955::cid_3221353::ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate::ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

SMILES: CCOC(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1

InChI Key: InChIKey=AOOMEGPGORJQQS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 62078   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62078
PNG
((5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1...)
Show SMILES CCOC(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
Show InChI InChI=1S/C17H17N3O5S3/c1-2-24-15(21)11-27-17-20-19-16(25-17)12-5-7-14(8-6-12)28(22,23)18-10-13-4-3-9-26-13/h3-9,18H,2,10-11H2,1H3
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 4.38E+4n/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair