null

SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1

InChI Key InChIKey=ACWKGTGIJRCOOM-UHFFFAOYSA-N

  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 15 hits for monomerid = 168383   

TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
BAYER INTELLECTUAL PROPERTY GMBH

US Patent
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 25nMpH: 8.0 T: 2°CAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22Z13PGUS Patent
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
BAYER INTELLECTUAL PROPERTY GMBH

US Patent
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 13nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB49QVPubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
Central University of Punjab

Curated by ChEMBL
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 385nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S1856WPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))TBA
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 87nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 470nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))TBA
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 45nMAssay Description:Inhibition of human GSK3alphaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
BAYER INTELLECTUAL PROPERTY GMBH

US Patent
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of C-terminal His6-tagged human CDK9/cyclin-T1 expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of N-terminal GST-tagged thrombin cleavage site-fused human CDK1/cyclin-B expressed in baculovirus infected Sf9 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of C-terminal His6-tagged human CDK2/N-terminal GST-tagged human cyclin E expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of C-terminal His6-tagged human CDK3/N-terminal GST-tagged human cyclin E expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))TBA
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of N-terminal GST-tagged human CDK5/N-terminal GST-tagged p35More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of N-terminal His6-tagged human CDK6/N-terminal GST-tagged human cyclin D3 expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 890nMAssay Description:Inhibition of full length human CDK7/C-terminal His6-tagged human cyclin H/N-terminal GST-tagged human MAT1 expressed in baculovirus infected Sf21 in...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB56K3PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
BAYER INTELLECTUAL PROPERTY GMBH

US Patent
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK or histone H1 as substrate incubated for 2 hrs in presence of [gamma-33P]A...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZP49W3PubMed
LigandPNGBDBM168383(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+3nMpH: 8.0 T: 2°CAssay Description:For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22Z13PGUS Patent