null

SMILES [H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50560327   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 0.0830nMAssay Description:Inhibition of recombinant full length BTK (unknown origin) expressed in baculovirus infected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-NH2 peptide as su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase Yes(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 35nMAssay Description:Inhibition of YES1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 36nMAssay Description:Inhibition of BTK in human whole blood assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with anti-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 22nMAssay Description:Inhibition of BLK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 13nMAssay Description:Inhibition of BMX (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase CSK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 290nMAssay Description:Inhibition of CSK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 34nMAssay Description:Inhibition of ERBB4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Fgr(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 26nMAssay Description:Inhibition of FGR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase FRK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 46nMAssay Description:Inhibition of FRK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 18nMAssay Description:Inhibition of FYN (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 11nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Lyn(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 49nMAssay Description:Inhibition of LYNB (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetProtein-tyrosine kinase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 50nMAssay Description:Inhibition of PTK6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 92nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Srms(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 14nMAssay Description:Inhibition of SRMS (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 92nMAssay Description:Inhibition of TEC (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase TXK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 46nMAssay Description:Inhibition of TXK (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22N55Z9PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50560327(CHEMBL4749037)copy SMILES
Affinity DataIC50: 5.80nMAssay Description:Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB