BDBM50312668 CHEMBL1076638::Chemocoxib A (12)::N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCNC(=O)CCC(=O)O[C@H]3[C@@H]4COC(=O)[C@H]4[C@@H](c4cc(OC)c(OC)c(OC)c4)c4cc5OCOc5cc34)c2c1

InChI Key InChIKey=VWODTBOQFNUCFF-UHFFFAOYSA-N

Data  11 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50312668   

TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 2.50E+4nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 290nMAssay Description:Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 290nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 4.00E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2 [18-504,V335L](Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 4.00E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2 [18-604,V509I](Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 1.10E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2 [18-604,S516A](Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 1.50E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2 [18-604,R106Q](Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 90nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2 [18-604,Y541F](Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 4.00E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Mouse)
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

LigandPNGBDBM50312668(N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-ch...)
Affinity DataIC50: 295nMAssay Description:Inhibition of mouse COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)