BindingDB logo
myBDB logout

null

SMILES: NS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1Cl

InChI Key: InChIKey=XZBCHXZIDAPGAW-UHFFFAOYSA-N

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 4 hits for monomerid = 50084342   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50084342
PNG
(4-[3-(2-Chloro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1Cl |(4.41,-9.17,;5.68,-10.06,;6.94,-10.95,;4.78,-11.33,;6.56,-8.8,;8.12,-8.92,;8.99,-7.64,;8.31,-6.26,;6.77,-6.14,;5.9,-7.4,;9.19,-5,;10.72,-5.02,;11.21,-3.6,;9.99,-2.67,;10.02,-1.13,;8.75,-3.53,;7.66,-2.43,;8.07,-.96,;6.98,.13,;5.49,-.28,;5.09,-1.73,;6.18,-2.83,;5.77,-4.32,)|
Show InChI InChI=1S/C15H11ClN2O4S/c16-12-3-1-2-4-13(12)18-14(9-22-15(18)19)10-5-7-11(8-6-10)23(17,20)21/h1-9H,(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2


J Med Chem 43: 214-23 (2000)


BindingDB Entry DOI: 10.7270/Q2DV1KK0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50084342
PNG
(4-[3-(2-Chloro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1Cl |(4.41,-9.17,;5.68,-10.06,;6.94,-10.95,;4.78,-11.33,;6.56,-8.8,;8.12,-8.92,;8.99,-7.64,;8.31,-6.26,;6.77,-6.14,;5.9,-7.4,;9.19,-5,;10.72,-5.02,;11.21,-3.6,;9.99,-2.67,;10.02,-1.13,;8.75,-3.53,;7.66,-2.43,;8.07,-.96,;6.98,.13,;5.49,-.28,;5.09,-1.73,;6.18,-2.83,;5.77,-4.32,)|
Show InChI InChI=1S/C15H11ClN2O4S/c16-12-3-1-2-4-13(12)18-14(9-22-15(18)19)10-5-7-11(8-6-10)23(17,20)21/h1-9H,(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Binding affinity towards Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 13: 3753-7 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2BS0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50084342
PNG
(4-[3-(2-Chloro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1Cl |(4.41,-9.17,;5.68,-10.06,;6.94,-10.95,;4.78,-11.33,;6.56,-8.8,;8.12,-8.92,;8.99,-7.64,;8.31,-6.26,;6.77,-6.14,;5.9,-7.4,;9.19,-5,;10.72,-5.02,;11.21,-3.6,;9.99,-2.67,;10.02,-1.13,;8.75,-3.53,;7.66,-2.43,;8.07,-.96,;6.98,.13,;5.49,-.28,;5.09,-1.73,;6.18,-2.83,;5.77,-4.32,)|
Show InChI InChI=1S/C15H11ClN2O4S/c16-12-3-1-2-4-13(12)18-14(9-22-15(18)19)10-5-7-11(8-6-10)23(17,20)21/h1-9H,(H2,17,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.54E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Binding affinity towards Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 13: 3753-7 (2003)


BindingDB Entry DOI: 10.7270/Q2JM2BS0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50084342
PNG
(4-[3-(2-Chloro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1Cl |(4.41,-9.17,;5.68,-10.06,;6.94,-10.95,;4.78,-11.33,;6.56,-8.8,;8.12,-8.92,;8.99,-7.64,;8.31,-6.26,;6.77,-6.14,;5.9,-7.4,;9.19,-5,;10.72,-5.02,;11.21,-3.6,;9.99,-2.67,;10.02,-1.13,;8.75,-3.53,;7.66,-2.43,;8.07,-.96,;6.98,.13,;5.49,-.28,;5.09,-1.73,;6.18,-2.83,;5.77,-4.32,)|
Show InChI InChI=1S/C15H11ClN2O4S/c16-12-3-1-2-4-13(12)18-14(9-22-15(18)19)10-5-7-11(8-6-10)23(17,20)21/h1-9H,(H2,17,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.54E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1


J Med Chem 43: 214-23 (2000)


BindingDB Entry DOI: 10.7270/Q2DV1KK0
More data for this
Ligand-Target Pair