BDBM76963 US9694011, Example 1 (Compound 17)

SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key InChIKey=ILYWXMXJQALBEV-UHFFFAOYSA-N

Data  3 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 76963   

TargetEpidermal growth factor receptor [L858R](Human)
Jiangsu Medolution

US Patent
LigandPNGBDBM76963(US9694011, Example 1 (Compound 17))
Affinity DataKd:  54nMT: 2°CAssay Description:Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
Go to US Patent

TargetEpidermal growth factor receptor [T790M,L858R](Human)
Jiangsu Medolution

US Patent
LigandPNGBDBM76963(US9694011, Example 1 (Compound 17))
Affinity DataKd:  270nMT: 2°CAssay Description:Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
Go to US Patent

TargetTyrosine-protein kinase BTK(Human)
Jiangsu Medolution

US Patent
LigandPNGBDBM76963(US9694011, Example 1 (Compound 17))
Affinity DataKd: <10nMT: 2°CAssay Description:Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2018
Entry Details
Go to US Patent