null

SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1

InChI Key InChIKey=JSAQBOQCZJHWMA-XMMPIXPASA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 324284   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK [14-552](Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
In DepthDetails
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of BTK phosphorylation in human whole blood assessed as reduction in BTK phosphorylation incubated for 30 minsMore data for this Ligand-Target Pair
TargetEarly activation antigen CD69(Homo sapiens)TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of CD69 in human whole blood preincubated for 30 mins followed by anti-human IgD stimulation and measured after 18 to 22 hrs by flow cytom...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  0.0700nMAssay Description:Binding affinity to wild-type human full length BTK (M1 to S659 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  660nMAssay Description:Binding affinity to wild-type human partial length AURKA (E122 to K401 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  88nMAssay Description:Binding affinity to wild-type human full length BMX (M1 to H675 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetCyclin-dependent kinase-like 2(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  240nMAssay Description:Binding affinity to wild-type human partial length CDKL2 (M1 to D327 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd: >3.00E+3nMAssay Description:Binding affinity to wild-type human full length LZK (M1 to W966 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  200nMAssay Description:Binding affinity to wild-type human full length MEK2 (M1 to V400 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  420nMAssay Description:Binding affinity to wild-type human partial length PIP5K1C (M1 to T668 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  320nMAssay Description:Binding affinity to wild-type human partial length SRC (L240 to L536 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  240nMAssay Description:Binding affinity to wild-type human partial length TEC (L341 to D620 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetTyrosine-protein kinase receptor Tie-1(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataKd:  40nMAssay Description:Binding affinity to wild-type human partial length TIE1 (T819 to A1138 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human Cav1.2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of tonic human Nav1.5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of phasic human Nav1.5More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction in PLCgamma2 phosphorylationMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 5.40nMAssay Description:Inhibition of BTK in anti-IgM stimulated human PBMC cells assessed as reduction in PLCgamma2 phosphorylationMore data for this Ligand-Target Pair
TargetEarly activation antigen CD69(Homo sapiens)TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 71nMAssay Description:Inhibition of CD69 (unknown origin) assessed as reduction in BCR mediated B cell activationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetCD63 antigen(Homo sapiens (Human))TBA
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 82nMAssay Description:Inhibition of CD63 (unknown origin) assessed as FcepsilonR induced basophil activationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B641CPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of human BTK assessed as reduction in OVA323-329 specific T cells proliferationMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
BIOGEN MA INC.

US Patent
LigandPNGBDBM324284((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)copy SMILEScopy InChI
Affinity DataIC50: 505nMAssay Description:The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...More data for this Ligand-Target Pair