BDBM499811 US11020398, Compound I-123::US20230364079, Example ARQ-531

SMILES c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO

InChI Key InChIKey=JSFCZQSJQXFJDS-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 499811   

TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK [C481S](Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.390nMAssay Description:Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/28/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.390nMAssay Description:Inhibition of wild type human BTK C481S mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Inhibition of wild type human BTK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 12.5nMAssay Description:Kinase Reaction Process: (1) Preparation of 1 × Kinase buffer.(2) Preparation of compound with gradient concentrations: The test compound was tested ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK [C481S](Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 5nMAssay Description:Kinase Reaction Process: (1) Preparation of 1 × Kinase buffer.(2) Preparation of compound with gradient concentrations: The test compound was tested ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Inhibition of full-length wild-type BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.390nMAssay Description:Inhibition of BTK C481S mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Inhibition of full length wild-type BTK (unknown origin) in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.390nMAssay Description:Inhibition of full length BTK C481S mutant (unknown origin) in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Arqule

US Patent
LigandPNGBDBM499811(US11020398, Compound I-123 | US20230364079, Exampl...)
Affinity DataIC50: 0.850nMAssay Description:Reversible inhibition of human BTKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)