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SMILES: Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1

InChI Key: InChIKey=QUBLCFFIKVKFME-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 3 hits for monomerid = 50114415   
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 1


(Ovis aries (Sheep))
BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.42E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay


Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.47E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.13E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay


Eur J Med Chem 101: 81-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.020
BindingDB Entry DOI: 10.7270/Q2J38VCX
More data for this
Ligand-Target Pair