null

SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

InChI Key InChIKey=DTEKTGDVSARYDS-UHFFFAOYSA-N

PDB links: 3 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 37 hits for monomerid = 25017   

TargetRibosomal protein S6 kinase alpha-1 [E551G,S637N,G697A](Rattus norvegicus (rat))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 31nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 24nMMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 18nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 15nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetSerine/threonine-protein kinase 3(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 860nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 1.59E+3nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetMAP/microtubule affinity-regulating kinase 3(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetCasein kinase I isoform alpha(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetAurora kinase B(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 340nMAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4TD7PubMed
TargetCasein kinase I isoform alpha(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay Description:Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counterMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FJ2J2FPubMed
TargetSerine/threonine-protein kinase VRK1(Homo sapiens (Human))
Universidade Estadual de Campinas (UNICAMP)

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP061JPubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Yale University

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Yale University

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataKd:  620nMAssay Description:Binding affinity to human C-terminal His8-tagged JAK2 pseudokinase (513 to 827 residues) expressed in baculovirus infected Hi-5 cells by intrinsic tr...More data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 2.33E+4nMAssay Description:Inhibition of full length human GST-tagged RSK2 using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assayMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
University of Colorado Anschutz Medical Campus

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Inhibition of RSK1 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of RSK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assayMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of RSK3 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of RSK4 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
University of Colorado Anschutz Medical Campus

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of RSK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of RSK2 (unknown origin)More data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of RSK3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Colorado Anschutz Medical Campus

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to BRD4 bromodomain 1 (unknown origin) by ITC assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XW4PCPPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assayMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataEC50:  2.60E+3nMAssay Description:Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assayMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-1(Rattus norvegicus)TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Inhibition of N-terminal HA-tagged rat RSK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44DCPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of His6-tagged human RSK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate in presence of [gamma-32P]ATPMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Inhibition of RSK3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44DCPubMed
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of RSK4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44DCPubMed
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of RSK4 (unknown origin) incubated for 40 mins in presence of ATP and lipid substrate by Kinase-Glo plus luminescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WD44DCPubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 22.6nMMore data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
University of Colorado Anschutz Medical Campus

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataKd:  3.55E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 18nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 18nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
University of Dundee

LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 15nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
University of Colorado Anschutz Medical Campus

Curated by ChEMBL
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 31nMMore data for this Ligand-Target Pair
In DepthDetails
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))TBA
LigandPNGBDBM25017(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)copy SMILEScopy InChI
Affinity DataIC50: 24nMpH: 7.5 T: 2°CAssay Description:IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe...More data for this Ligand-Target Pair