BindingDB logo
myBDB logout

BDBM36815 6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-3H-benzooxazol-2-one::6-bromanyl-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one::6-bromo-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one::6-bromo-3-[(2-thiazolin-2-ylthio)methyl]-1,3-benzoxazol-2-one::6-bromo-3-[(4,5-dihydrothiazol-2-ylthio)methyl]-1,3-benzoxazol-2-one::MLS000029741::SMR000009464::cid_644507

SMILES: Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1

InChI Key: InChIKey=FVOTWTZAEDTKJR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 36815   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36815
PNG
(6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)...)
Show SMILES Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8|
Show InChI InChI=1S/C11H9BrN2O2S2/c12-7-1-2-8-9(5-7)16-11(15)14(8)6-18-10-13-3-4-17-10/h1-2,5H,3-4,6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36815
PNG
(6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)...)
Show SMILES Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8|
Show InChI InChI=1S/C11H9BrN2O2S2/c12-7-1-2-8-9(5-7)16-11(15)14(8)6-18-10-13-3-4-17-10/h1-2,5H,3-4,6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36815
PNG
(6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)...)
Show SMILES Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8|
Show InChI InChI=1S/C11H9BrN2O2S2/c12-7-1-2-8-9(5-7)16-11(15)14(8)6-18-10-13-3-4-17-10/h1-2,5H,3-4,6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.29E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair