BDBM4552 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile::BOSUTINIB::CHEMBL288441::SKI-606

SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

InChI Key InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N

Data  5 KI  92 IC50  455 Kd

PDB links: 13 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 552 hits for monomerid = 4552   

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKi:  13nMAssay Description:Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...More data for this Ligand-Target Pair
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKi:  13nMAssay Description:Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assayMore data for this Ligand-Target Pair
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKi:  302nMAssay Description:Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assayMore data for this Ligand-Target Pair
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKi:  304nMAssay Description:Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...More data for this Ligand-Target Pair
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKi:  304nMAssay Description:Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  1.20nMAssay Description:Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  3.80nMpH: 7.5 T: 2°CAssay Description:Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  1.20nMpH: 7.5 T: 2°CAssay Description:Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  3.60nMpH: 7.5 T: 2°CAssay Description:Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  3.80nMpH: 7.5 T: 2°CAssay Description:Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  1.10nMAssay Description:Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  1.20nMpH: 7.5 T: 2°CAssay Description:Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Wyeth-Ayerst Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  3.80nMpH: 7.5 T: 2°CAssay Description:Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSerine/threonine-protein kinase TBK1(Homo sapiens (Human))
Technical University Of Dortmund

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  670nMAssay Description:IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEphrin type-A receptor 2 [596-900](Homo sapiens (Human))
Technical University Of Munich

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  30nMAssay Description:Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...More data for this Ligand-Target Pair
TargetEphrin type-A receptor 2 [596-900](Homo sapiens (Human))
Technical University Of Munich

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  2nMAssay Description:Refer to Reaction Biology Corps.More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor/Nucleophosmin(Homo sapiens (Human))
University Of Milano-Bicocca

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  150nMAssay Description:Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
University Of Milano-Bicocca

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  20nMAssay Description:Inhibition of Bcr-Abl fusion proteinMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor/Nucleophosmin(Homo sapiens (Human))
University Of Milano-Bicocca

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor/Nucleophosmin(Homo sapiens (Human))
University Of Milano-Bicocca

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  200nMAssay Description:Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lyn(Homo sapiens (Human))
Center For Molecular Medicine Of The Austrian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  8nMAssay Description:Inhibition of LYNBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMisshapen-like kinase 1(Homo sapiens (Human))
Center For Molecular Medicine Of The Austrian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataIC50:  22nMAssay Description:Inhibition of MINK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for KIT(V559D,T670I) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  0.0620nMAssay Description:Binding constant for ABL1(H396P)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  29nMAssay Description:Binding constant for EGFR(L747-E749del, A750P) 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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(H1047Y) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-5(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RPS6KA5(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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  520nMAssay Description:Binding constant for KIT(L576P) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  3.40E+3nMAssay Description:Binding constant for FLT3(N841I) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  0.0570nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  170nMAssay Description:Binding constant for TNNI3K kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  0.0370nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  3.00E+3nMAssay Description:Binding constant for CHEK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PRKG1 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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for IKK-alpha kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage-stimulating protein receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  6.30E+3nMAssay Description:Binding constant for MST1R kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase B(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for AURKB 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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  2.30E+3nMAssay Description:Binding constant for AAK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEphrin type-A receptor 6(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  1.10E+3nMAssay Description:Binding constant for EPHA6 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  0.110nMAssay Description:Binding constant for ABL1(F317L)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase BRSK1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for BRSK1 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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  4.80E+3nMAssay Description:Binding constant for RET kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyotonin-protein kinase(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  91nMAssay Description:Binding constant for DMPK 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
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  4.50E+3nMAssay Description:Binding constant for CAMK2A kinase domainMore data for this Ligand-Target Pair
TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  490nMAssay Description:Binding constant for MYLK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMisshapen-like kinase 1(Homo sapiens (Human))
Center For Molecular Medicine Of The Austrian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  3.20nMAssay Description:Binding constant for MINK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  0.0390nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  1.00E+3nMAssay Description:Binding constant for FLT3(D835H) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Affinity DataKd:  110nMAssay Description:Binding constant for EGFR(S752-I759del) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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