null

SMILES OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1

InChI Key InChIKey=IIQUYGWWHIHOCF-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50328152   

TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50328152(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)copy SMILEScopy InChI
Affinity DataEC50:  430nMAssay Description:Inhibition of Bcr-Abl in mouse BA/F3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5FTWPubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50328152(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TNPPubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50328152(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 935nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9H0C
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50328152(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human c-ABL SH1 domain (46 to 515 residues) expressed in bacterial expression system using EAIYAAPFAKKK as substrate measur...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7D3XPubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50328152(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Inhibition of recombinant human c-ABL SH3/SH2/SH1 domain (46 to 515 residues) expressed in bacterial expression system using EAIYAAPFAKKK as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7D3XPubMed