BDBM112499 DACOMITINIB::US8623883, No. 2::WO2022090481, Example dacomitinib

SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1

InChI Key InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N

Data  45 IC50  2 EC50

PDB links: 2 PDB IDs match 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 10 hits for monomerid = 112499   

TargetEpidermal growth factor receptor/Interleukin-3(Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  978nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.640nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.0100nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,T790M](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  56nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.60nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [1-18,20-1210,T790M,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.17E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  0.0300nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  61nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  6.90nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,T790M,C797S](Homo sapiens (Human))
Boehringer Ingelheim International

WIPO
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50:  1.60E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair