null

SMILES COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1

InChI Key InChIKey=RYPUXQUIINZHBC-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50062380   

TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50062380(CHEMBL3397286)copy SMILEScopy InChI
Affinity DataIC50: 3.39E+4nMAssay Description:Inhibition of ROS1 in human HCC78 cells after 48 hrs by CellTitre-Glo assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61MX6PubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50062380(CHEMBL3397286)copy SMILEScopy InChI
Affinity DataIC50: 1.92E+3nMAssay Description:Inhibition of ALK (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61MX6PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50062380(CHEMBL3397286)copy SMILEScopy InChI
Affinity DataIC50: 56nMAssay Description:Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61MX6PubMed