null

SMILES C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1

InChI Key InChIKey=XNRABRXYGRUDAX-INIZCTEOSA-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 5 hits for monomerid = 50296896   

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

Curated by ChEMBL
LigandPNGBDBM50296896((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay 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
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50296896((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay 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
LigandPNGBDBM50296896((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 199nMAssay Description:Inhibition of ROS1 by HotSpot assay relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z89CG9PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50296896((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 775nMAssay 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
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Korea University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50296896((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of c-Met (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