BDBM17055 (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::(9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione::K00587a::LY 333531::LY-333531::LY333531::Ruboxistaurin::cid_153999

SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21

InChI Key InChIKey=ZCBUQCWBWNUWSU-SFHVURJKSA-N

Data  6 KI  37 IC50  852 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 895 hits for monomerid = 17055   

TargetRibosomal protein S6 kinase alpha-2(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  2.80E+5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetRibosomal protein S6 kinase alpha-1(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  4.00E+5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetTyrosine-protein kinase JAK3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  4.20E+5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetMast/stem cell growth factor receptor Kit(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  9.20E+5nM ΔG°:  -4.14kcal/molepH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetRibosomal protein S6 kinase alpha-6(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  2.30E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetRibosomal protein S6 kinase alpha-3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKi:  3.60E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  750nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  500nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  600nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  743nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  610nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  734nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataIC50:  500nMpH: 7.5 T: 30°CAssay Description:In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetDual specificity protein kinase CLK1 [R432A](Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  910nMpH: 7.4 T: 23°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetDual specificity protein kinase CLK4(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.90E+3nMpH: 7.4 T: 23°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetMitogen-activated protein kinase 15(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  88nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  980nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.90E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  210nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  130nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  280nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  5.00E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetDual specificity protein kinase CLK2(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  420nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetCyclin-G-associated kinase(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.10E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSerine/threonine-protein kinase LATS1(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.60E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  3.20E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetProtein kinase C theta type(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.5nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSerine/threonine-protein kinase D2(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  890nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSerine/threonine-protein kinase PLK4(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  4.70E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.60E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  8.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  5.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetGlycogen synthase kinase-3 beta(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.60E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  3.70E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetNUAK family SNF1-like kinase 2(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  320nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSerine/threonine-protein kinase 3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  960nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetAP2-associated protein kinase 1(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  900nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetNUAK family SNF1-like kinase 1(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.80E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetBMP-2-inducible protein kinase(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  430nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSerine/threonine-protein kinase Chk1(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  540nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetCasein kinase II subunit alpha(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  3.60E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetCasein kinase II subunit alpha'(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  3.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  5.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetRibosomal protein S6 kinase alpha-4(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  6.10E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetRibosomal protein S6 kinase alpha-5(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.30E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetSTE20-like serine/threonine-protein kinase(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  400nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetMyosin light chain kinase, smooth muscle(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  290nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  690nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay

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