BDBM50337126 2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one::CHEMBL1672987::Scaffold, B19::US9266890, IV-2

SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1

InChI Key InChIKey=LGLHCXISMKHLIK-UHFFFAOYSA-N

Data  6 IC50  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50337126   

TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataKd:  15nMAssay 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
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataKd:  670nMAssay Description:In vitro Erk5 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
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataKd:  2nMAssay Description:Inhibition of ACK1 kinase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataKd: >670nMAssay Description:Binding affinity to ERK5 by immobilized ligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase DCLK1(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataKd:  15nMMore data for this Ligand-Target Pair
In DepthDetails
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50:  70nMAssay Description:Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5 autophosphorylation pretreated for 1 hr followed by EGF stimulation ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of BRD4 bromodomain 1 (unknown origin) by AlphaScreen displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins dev...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337126(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Affinity DataIC50:  44nMAssay Description:Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression syst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed