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 CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
InChI Key InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 582 hits for monomerid = 4552
Affinity DataKd: 0.0290nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0360nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0370nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0390nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0470nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0570nMAssay Description:Binding constant for ABL1(H396P)-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0570nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0620nMAssay Description:Binding constant for ABL1(H396P)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.0860nMAssay Description:Binding constant for ABL1(Q252H)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.110nMAssay Description:Binding constant for ABL1(F317L)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.120nMAssay Description:Binding constant for ABL1-non phosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.180nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase kinase 5(Human)
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 0.300nMAssay Description:Inhibition of MAP4K5More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Yes(Human)
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
TargetMitogen-activated protein kinase kinase kinase kinase 5(Human)
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 0.5nMAssay Description:Binding constant for MAP4K5 kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL2(Human)
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Affinity DataKd: 0.590nMAssay Description:Binding constant for LCK kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.630nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
Affinity DataKd: 0.770nMAssay Description:Binding constant for ERBB3 kinase domainMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human ABL using EAIYAAPFAKKK as substrate after 40 mins by scintillation counting analysis in presence of [gamma-33P-ATP]More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human BCR-ABL1 Q252H mutant by radiometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human SRC (1 to 530 residues) using GGEEEEYFELVKKKK as substrate after 40 mins by scintillation counting analysis in presence of [gamma...More data for this Ligand-Target Pair
Affinity DataKd: 1nMAssay Description:Binding affinity to T7-tagged Src (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hrMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of human BMX using poly(Glu,Tyr) 4:1 as substrate after 40 mins by scintillation counting analysis in presence of [gamma-33P-ATP]More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human BCR-ABL1 M351T mutant by radiometric assayMore data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
University of Edinburgh
Curated by ChEMBL
University of Edinburgh
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human MEK1 after 40 mins in presence of MgATPMore data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human BCR-ABL1 Y253F mutant by radiometric assayMore data for this Ligand-Target Pair
Affinity DataKd: 1nMAssay Description:Binding affinity to SRC (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of ABL (unknown origin) by kinome scan assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1nMAssay Description:Inhibition of c-Abl (unknown origin)More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human BCR-ABL1 H396P mutant by radiometric assayMore data for this Ligand-Target Pair
Affinity DataKd: 1nMAssay Description:Binding constant for SRC kinase domainMore data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Inhibition of human wild type BCR-ABL1 by radiometric assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Fgr(Human)
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Center For Molecular Medicine of The Austrian Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.10nMAssay Description:Inhibitory concentration against v-Abl tyrosine kinaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.10nMAssay Description:Inhibition of Abl kinaseMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1.10nMAssay Description:Inhibition of wild type AblMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1.20nMAssay Description:Inhibition of cSrc by ELISAMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human recombinant cSrc by ELISAMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Src kinaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Src protein tyrosine kinaseMore data for this Ligand-Target Pair
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

3D Structure (crystal)