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  53 IC50  458 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 27 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 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
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 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 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
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
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
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
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
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
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
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 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
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:  8nMAssay Description:Inhibition of recombinant full length human PLK1 using casein as substrate incubated for 40 mins in the presence of [gamma33P]ATP at Km concentration...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 in human A549 cells incubated for 2 hrs by microplate reader 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:  0.0830nMAssay Description:Inhibition of 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:  0.830nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human PLK1 (1 to 603 residues) expressed in baculovirus expression system incubated for 45 mins using...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 GST-tagged PLK1 (1 to 603 residues) using casein as substrate incubated for 45 minsMore data for this Ligand-Target Pair