BDBM50346121 2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-ylamino)phenyl)acetic acid::CHEMBL1782306

SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1

InChI Key InChIKey=FDVSPBLZPJMXFV-UHFFFAOYSA-N

Data  11 IC50

PDB links: 1 PDB ID matches 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 11 hits for monomerid = 50346121   

TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Human)
Asahi Kasei Pharma

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50: >2.00E+3nMAssay Description:Inhibition of PDE5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  55nMAssay Description:Inhibition of human PDE4B1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human PDE4D7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substratesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substratesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  32nMAssay Description:Inhibition of human N-terminal His6-tagged PDE4B1 catalytic domain (324 to 691 residues) expressed in baculovirus infected sf9 cells using cAMP as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 3A4(Human)
Asahi Kasei Pharma

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Asahi Kasei Pharma

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Asahi Kasei Pharma

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Northern Illinois University

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50:  32nMAssay Description:Inhibition of human N-terminal His6-tagged PDE4B1 catalytic domain (324 to 691 residues) expressed in baculovirus infected sf9 cells using cAMP as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 1A2(Human)
Asahi Kasei Pharma

Curated by ChEMBL
LigandPNGBDBM50346121(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed