null

SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1

InChI Key InChIKey=UAWXGRJVZSAUSZ-UHFFFAOYSA-N

PDB links: 2 PDB IDs match 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 8 hits for monomerid = 50038649   

TargetProstaglandin G/H synthase 1(Bos taurus)
Johannes Gutenberg-University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLCMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92B4SPubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:Inhibitory concentration against prostaglandin G/H synthase 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SF2WZ9PubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 800nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2639RRWPubMed
TargetProstaglandin G/H synthase 1(Bos taurus)
Johannes Gutenberg-University

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P90GCPubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 160nMAssay Description:Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92DRPPubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 9.85E+3nMAssay Description:Inhibition of human COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29C722KPubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 210nMAssay Description:Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EI...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JH3R2WPubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)copy SMILEScopy InChI
Affinity DataIC50: 210nMMore data for this Ligand-Target Pair
In DepthDetails