BDBM25121 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide::BI 2536::CHEMBL513909::US10450297, Example 300::US8598172, 5

SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O

InChI Key InChIKey=XQVVPGYIWAGRNI-JOCHJYFZSA-N

Data  7 KI  50 IC50  457 Kd

PDB links: 16 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 66 hits for monomerid = 25121   

TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKi:  0.220nMAssay Description:Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKi: <1nM ΔG°: <-12.1kcal/molepH: 7.5 T: 2°CAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKi: <1nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKi:  3nMAssay Description:Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKi:  56nMAssay Description:Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  8nMpH: 7.5 T: 2°CAssay Description:Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  16.8nMpH: 7.5 T: 2°CAssay Description:Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  8nMpH: 7.9Assay Description:The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  30nMpH: 7.9Assay Description:The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.More data for this Ligand-Target Pair
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  23nMAssay Description:Binding constant for CAMKK2 kinase domainMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of BRD4 (unknown origin) by alpha screen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  37nMAssay Description:Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  184nMAssay Description:Displacement of biotin-PEG2- SGRGKacGGKacGLGKacGGAKacRHPvK-COOH from BRD4 (unknown origin) after 1.5 hrs by acetyl-histone binding based Alphascreen ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  87nMAssay Description:Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  0.810nMAssay Description:Binding constant for PLK2 kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  0.190nMAssay Description:Binding constant for PLK1 kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Competitive inhibition of human PLK1 in presence of ATPMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of N-terminal 6His-tagged human BRD4 bromodomain 1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated histon...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  37nMAssay Description:Binding affinity to recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria by isothermal titration calorimetric methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human PLK1 (1 to 603 residues) expressed in baculovirus expression system using bovine milk casein as...More data for this Ligand-Target Pair
TargetBromodomain testis-specific protein(Homo sapiens (Human))
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  260nMAssay Description:Inhibition of N-terminal 6His-tagged human BRDT bromodomain 1 (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated histon...More data for this Ligand-Target Pair
TargetBromodomain testis-specific protein(Homo sapiens (Human))
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence a...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  250nMAssay Description:Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in da...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of human N-terminal His6-tagged BRD4-BD1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) cells using protein thermal shift d...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate a...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50: <100nMAssay Description:Inhibition of PLK1 in human MDA-MB-23 cells assessed as decrease in TCTP phosphorylation after 6 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50: <100nMAssay Description:Inhibition of PLK1 in HEK293T cells assessed as decrease in TCTP phosphorylation after 6 hrs by Western blot methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate a...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged BRD4 expressed in Escherichia coli BL21(DE3) cells using biotinylated histone H4 peptide as su...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  14nMAssay Description:Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  5.30nMAssay Description:Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of human recombinant PLK1 by Z-Lyte assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  205nMAssay Description:Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  59nMAssay Description:Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence ani...More data for this Ligand-Target Pair
TargetTranscription initiation factor TFIID subunit 1(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  160nMAssay Description:Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assa...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  24nMAssay Description:Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by competiti...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  150nMAssay Description:Displacement of Bio-JQ1 from recombinant human His6 tagged BRD4 bromodomain 1 by alphascreen assayMore data for this Ligand-Target Pair
TargetTranscription initiation factor TFIID subunit 1(Homo sapiens (Human))
Dana Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  170nMAssay Description:Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by competitive phage d...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  830nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate m...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  25nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50: <2.60nMAssay Description:Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  300nMAssay Description:Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engageme...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  37nMAssay Description:Binding affinity to BRD4 (unknown origin) by isothermal calorimetryMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataKd:  0.190nMAssay Description:Binding affinity to PLK1 (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  7.10nMAssay Description:Inhibition of recombinant full length human His-tagged PLK1 expressed in baculovirus expression system using ser/thr 16 as substrate incubated for 1 ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant full length human GST-tagged PLK2 expressed in baculovirus expression system using ser/thr 16 as substrate incubated for 1 ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  0.830nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate i...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM25121(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Affinity DataIC50:  106nMAssay Description:Inhibition of full length human PLK1 using casein as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric assayMore data for this Ligand-Target Pair