null

SMILES Cn1cc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1

InChI Key InChIKey=RTRNJQOBEOISFQ-UHFFFAOYSA-N

  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 22 hits for monomerid = 50245587   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5HCKPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataKi:  14nMAssay Description:Irreversible inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as subst...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4T51PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 366nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 195nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetNuclear receptor subfamily 2 group C member 2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 5.18E+3nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 6.70nMAssay Description:Inhibition of recombinant full length His-tagged human BMX expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4T51PubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 5.18E+3nMAssay Description:Inhibition of recombinant GST-tagged human JAK3 expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4T51PubMed
TargetTyrosine-protein kinase Blk(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 366nMAssay Description:Inhibition of recombinant full length His-tagged human BLK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4T51PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 54nMAssay Description:Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5HCKPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5HCKPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 874nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using p...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5HCKPubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 3.34E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,T...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5HCKPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 6.60nMAssay Description:Inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4T51PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4ZDWPubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87DG5PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataEC50:  318nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction in PLCgamma2 phosphorylation at Tyr759 residue by chemiluminescence based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87DG5PubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataEC50:  475nMAssay Description:Inhibition of 3x-FLAG-tagged BTK (unknown origin) expressed in HEK293T cells assessed as reduction in enzyme autophosphorylation at Y551 residue incu...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87DG5PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 6.73nMAssay Description:Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM β-glycerophosphate, 1 mM d...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
University of Science and Technology of China

Curated by ChEMBL
LigandPNGBDBM50245587(CHEMBL4077064 | US10000483, Compound II-4)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotech...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QF8W63US Patent