BDBM437747 US10596172, Compound I-81::US10828300, Compound I-81::US11351168, Compound I-81

SMILES CN1CCCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)C1

InChI Key InChIKey=FYCZGKQBYZKDNQ-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 437747   

TargetTyrosine-protein kinase BTK(Human)
Celgene Car

US Patent
LigandPNGBDBM437747(US10596172, Compound I-81 | US10828300, Compound I...)
Affinity DataIC50: 10nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
Go to US Patent

TargetEpidermal growth factor receptor(Human)
Celgene Car

US Patent
LigandPNGBDBM437747(US10596172, Compound I-81 | US10828300, Compound I...)
Affinity DataIC50: 10nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
Go to US Patent

TargetTyrosine-protein kinase BTK(Human)
Celgene Car

US Patent
LigandPNGBDBM437747(US10596172, Compound I-81 | US10828300, Compound I...)
Affinity DataIC50: 10nMAssay Description:Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/28/2021
Entry Details
Go to US Patent

TargetTyrosine-protein kinase BTK(Human)
Celgene Car

US Patent
LigandPNGBDBM437747(US10596172, Compound I-81 | US10828300, Compound I...)
Affinity DataIC50: 100nMAssay Description:Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2022
Entry Details
Go to US Patent

TargetEpidermal growth factor receptor(Human)
Celgene Car

US Patent
LigandPNGBDBM437747(US10596172, Compound I-81 | US10828300, Compound I...)
Affinity DataIC50: 100nMAssay Description:Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2022
Entry Details
Go to US Patent