null

SMILES CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

InChI Key InChIKey=QGCABQAETOQVCP-UHFFFAOYSA-N

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22951   

TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Vanderbilt University School of Medicine

LigandPNGBDBM22951(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+4nMpH: 8.0 T: 2°CAssay Description:For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP736GPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22951(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22806VPPubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Vanderbilt University School of Medicine

LigandPNGBDBM22951(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 6.60E+4nMAssay Description:In vitro inhibitory activity against ovine Prostaglandin G/H synthase 1 (44 nM) using [14C]AA (50 uM) was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22806VPPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22951(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 700nMT: 2°CAssay Description:For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XP736GPubMed