BDBM187120 US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine

SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F

InChI Key InChIKey=VRHHAMWTRSVIEX-UHFFFAOYSA-N

Data  4 IC50  3 Kd

  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 7 hits for monomerid = 187120   

TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataIC50:  2nMpH: 8.0Assay Description:Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataIC50:  170nMpH: 8.0Assay Description:Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataIC50:  2nMpH: 8.0Assay Description:Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataKd:  61nMAssay Description:Inhibition of IRAK1 (unknown origin) assessed as dissociation constant by DiscoveryX assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataKd:  1.30nMAssay Description:Inhibition of CDK9 (unknown origin) assessed as dissociation constant by DiscoveryX assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataKd:  7.40nMAssay Description:Inhibition of GSK3 alpha (unknown origin) assessed as dissociation constant by DiscoveryX assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM187120(US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...)
Affinity DataIC50:  2.18E+3nMpH: 8.0Assay Description:Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent