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  851 Kd

PDB links: 2 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 32 hits for monomerid = 17055   

TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  960nMAssay Description:Average Binding Constant for AAK1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.10E+3nMAssay Description:Average Binding Constant for CAMKK2; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit alpha(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  9.60E+3nMAssay Description:Average Binding Constant for CAMK2A; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.50E+3nMAssay Description:Average Binding Constant for RPS6KA2 (Kin.Dom. 1); NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSTE20-like serine/threonine-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  940nMAssay Description:Average Binding Constant for SLK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 10(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.10E+3nMAssay Description:Average Binding Constant for STK10; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.50E+3nMAssay Description:Average Binding Constant for CAMKK1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase pim-2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  130nMAssay Description:Average Binding Constant for PIM2; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.70E+3nMAssay Description:Average Binding Constant for PHkg1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  380nMAssay Description:Average Binding Constant for KIT; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFibroblast growth factor receptor 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  5.10E+3nMAssay Description:Average Binding Constant for FGFR1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase kinase 5(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  8.40E+3nMAssay Description:Average Binding Constant for MAP4K5; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 3(Mus musculus)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  90nMAssay Description:Average Binding Constant for STK3_m; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBMP-2-inducible protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.50E+3nMAssay Description:Average Binding Constant for BIKE; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTRAF2 and NCK-interacting protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  5.80E+3nMAssay Description:Average Binding Constant for TNIK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  8.30E+3nMAssay Description:Average Binding Constant for CLK4; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeath-associated protein kinase 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.30E+3nMAssay Description:Average Binding Constant for DAPK3; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  220nMAssay Description:Average Binding Constant for STK4; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlatelet-derived growth factor receptor beta(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  7.00E+3nMAssay Description:Average Binding Constant for PDGFRB; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  370nMAssay Description:Average Binding Constant for STK18; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.20E+3nMAssay Description:Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  270nMAssay Description:Average Binding Constant for FLT3; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-5(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.00E+3nMAssay Description:Average Binding Constant for RPS6KA5 (Kin.Dom 1); NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-G-associated kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.30E+3nMAssay Description:Average Binding Constant for GAK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase MARK2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.30E+3nMAssay Description:Average Binding Constant for MARK2; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type 1D(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.60E+3nMAssay Description:Average Binding Constant for CAMK1D; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  1.30E+3nMAssay Description:Average Binding Constant for LCK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase pim-1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  55nMAssay Description:Average Binding Constant for PIM1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 16(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  8.00E+3nMAssay Description:Average Binding Constant for PCTK1; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase C(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  3.00E+3nMAssay Description:Average Binding Constant for Aurora3; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeath-associated protein kinase 2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.60E+3nMAssay Description:Average Binding Constant for DAPK2; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase HCK(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  2.80E+3nMAssay Description:Average Binding Constant for HCK; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed