BDBM657340 6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazolin-4-amine::US20240083857, Example Reference

SMILES C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC

InChI Key InChIKey=YREPTYNUQVYXCF-UHFFFAOYSA-N

Data  6 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 23 hits for monomerid = 657340   

TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 263nMAssay Description:Preparation of GST-tagged hK-RasGl2C loaded with fluorescent nucleotide was performed as follows: incubation of 11.5 μM hK-RasGl2C with 5-fold e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 304nMAssay Description:The expression and purification of N-terminal GST-tagged human K-RasG120 and N-terminal His-tagged human SOS1 is described below. Concentrations of p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 320nMAssay Description:Inhibition of human recombinant SOS1/KRAS G12D mutant protein-protein interaction expressed in Escherichia coli BL21 (DE3) cells incubated for 3 hrs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 320nMAssay Description:Inhibition of human His-tagged SOS1 by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 320nMAssay Description:Inhibition of human recombinant SOS1More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 320nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli/N-terminal His10-tagged wild...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 340nMAssay Description:Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 400nMAssay Description:Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataKd:  450nMAssay Description:Binding affinity to N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 553nMAssay Description:For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent

TargetEpidermal growth factor receptor(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 580nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 580nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 580nMAssay Description:Inhibition of human EGFR using biotin-aminohexyl-AEEEEYFELVAKKK as substrate preincubated for 15 mins followed by substrate/ATP addition measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 670nMAssay Description:Inhibition of SOS1 in human Calu-1 cells assessed as reduction in RAS activation pretreated for 30 mins followed by EGF stimulation for 3 mins by G-L...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 693nMAssay Description:This assay quantifies human SOS1-mediated loading of human K-RasG12C-GDP with a fluorescent GTP-analog. Detection of successful loading is achieved b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2024
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 780nMAssay Description:Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of SOS1 in human HeLa cells assessed as reduction in RAS activation pretreated for 30 mins followed by EGF stimulation for 3 mins by G-LIS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibition of SOS1 in human Calu-1 cells assessed as reduction in pERK level incubated for 24 hrs by HTRF analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 1.86E+3nMAssay Description:Inhibition of SOS1 in human K562 cells assessed as reduction in pERK level incubated for 60 mins by HTRF analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSon of sevenless homolog 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 2.36E+3nMAssay Description:Inhibition of SOS1 in human MOLM-13 cells assessed as reduction in pERK level incubated for 60 mins by HTRF analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human DBS assessed as reduction in CDC42 activation preincubated for 1 min with CDC42 followed by DBS addition measured after 20 mins i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetSon of sevenless homolog 2(Homo sapiens)TBA
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of N-terminal His10-tagged wild-type recombinant human SOS2 catalytic domain (564 to 1043 residues) expressed in Escherichia coli assessed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetGTPase KRas(Human)TBA
LigandPNGBDBM657340(6,7-dimethoxy-N-[(1R)-1-(1-naphthyl)ethyl]quinazol...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli assessed as reduction in int...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed