BDBM36486 9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[5,4-b][1,4]diazepin-6(7H)-one::Mps1-IN-2::Scaffold, B13::US9266890, I-10

SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1

InChI Key InChIKey=WELBJLUKWAJOQV-UHFFFAOYSA-N

Data  3 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 36486   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM36486(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Affinity DataIC50:  145nMpH: 7.5 T: 2°CAssay Description:ATP-site competition binding assay using Mps1 Kinase inhibitors in LanthaScreen Eu time-resolved FRET (TR-FRET) technology from Invitrogen.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM36486(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Affinity DataKd:  47nMAssay Description:In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM36486(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Affinity DataIC50:  145nMT: 2°CAssay Description:Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM36486(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Affinity DataIC50:  145nM Kd:  26nMAssay Description:In vitro biochemical assays were performed in parallel to determine the most potent tool compound.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed