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 442 hits for monomerid = 17055   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(T315I)-phosphorylated kinase domainMore 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:  9.80E+3nMAssay Description:Binding constant for KIT(V559D,T670I) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(Q546K) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  290nMAssay Description:Binding constant for MYLK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(T315I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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:  900nMAssay Description:Binding constant for AAK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for TYK2(JH2domain-pseudokinase) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase 17A(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for DRAK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PRKG1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  400nMAssay Description:Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RET(M918T) kinase domainMore 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:  4.10E+3nMAssay Description:Binding constant for KIT(A829P) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMisshapen-like kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  310nMAssay Description:Binding constant for MINK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(M1043I) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RET(V804M) kinase domainMore 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:  1.50E+3nMAssay Description:Binding constant for KIT(D816H) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MET kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(L747-T751del,Sins) kinase domainMore 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:  760nMAssay Description:Binding constant for KIT(D816V) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for BRAF kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  6.10E+3nMAssay Description:Binding constant for RPS6KA4(Kin.Dom.1-N-terminal) kinase domainMore 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:  7.90E+3nMAssay Description:Binding constant for KIT(L576P) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(C420R) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for TNNI3K kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 11A(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CDC2L2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for FLT4 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(L858R) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase BRSK1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for BRSK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(L858R,T790M) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MAP3K4 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(S752-I759del) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for JAK1(JH2domain-pseudokinase) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyotonin-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  280nMAssay Description:Binding constant for DMPK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore 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: >1.00E+4nMAssay Description:Binding constant for KIT(V559D,V654A) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-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: >1.00E+4nMAssay Description:Binding constant for ROCK2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for IKK-alpha kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(G719S) kinase domainMore 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:  4.50E+3nMAssay Description:Binding constant for CAMK2A kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MET(Y1235D) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(E542K) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(H1047L) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd:  280nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RET(V804L) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase MRCK gamma(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM17055((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for DMPK2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed