BindingDB BDBM50436850 CERITINIB::CHEMBL2403108::LDK378::US10053458, Comparative Example 2::US10618884, Example 16::US9809572, Example 16

BDBM50436850 CERITINIB::CHEMBL2403108::LDK378::US10053458, Comparative Example 2::US10618884, Example 16::US9809572, Example 16

SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key InChIKey=VERWOWGGCGHDQE-UHFFFAOYSA-N

Data 4 KI 173 IC50 1 Kd 11 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50436850

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+6nMAssay Description:Inhibition of human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system after 1 hr by mob...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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B.MOAD DrugBank antibodypedia GoogleScholar

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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

EC50: 3.00E+3nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

EC50: 2.66E+3nMAssay Description:Inhibition of EGFR T790M exon19 deletion double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

EC50: 2.50E+3nMAssay Description:Inhibition of EGFR exon19 deletion mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MT...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: 2.16E+3nMAssay Description:Inhibition of wild type GST-tagged human EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: 19nMAssay Description:Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

EC50: 2.50E+3nMAssay Description:Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: 28nMAssay Description:Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

EC50: >3.00E+3nMAssay Description:Inhibition of wild type EGFR (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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MMDB PC cid PC sid PDB Similars

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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system using...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Similars

Details Article PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using Srctide as substra...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Similars

Details Article PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus infected Sf21 insect cells using Sr...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Similars

Details Article PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of EGFR (unknown origin) incubated for 1 hr and measured by mobility shift assayMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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MMDB PC cid PC sid PDB Similars

Details PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Inhibition of human EGFR (669 to 1210 residues) cytoplasmic domain expressed in baculovirus infected Sf21 cells incubated for 1 hrs in the presence o...More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
MMDB PC cid PC sid PDB Similars

Details PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL

BDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)

IC50: >1.00E+3nMAssay Description:Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombinMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Filter my 189 hits

Targets 30▿
- ALK tyrosine kinase receptor 115
- Epidermal growth factor receptor 18
- Proto-oncogene tyrosine-protein kinase ROS 11
- Hepatocyte growth factor receptor 7
- Insulin receptor 5
- ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 4
- Receptor-type tyrosine-protein kinase FLT3 3
- Tyrosine-protein kinase JAK2 2
- Proto-oncogene tyrosine-protein kinase receptor Ret 2
- Insulin-like growth factor 1 receptor 2
- Transcription factor ETV6 1
- Tyrosine-protein kinase BTK 1
- Tyrosine-protein kinase ABL1 1
- Replicase polyprotein 1ab 1
- High affinity nerve growth factor receptor 1
- ALK tyrosine kinase receptor/Nucleophosmin 1
- Tyrosine-protein kinase JAK1 1
- MAP kinase-interacting serine/threonine-protein kinase 2 1
- Platelet-derived growth factor receptor alpha 1
- ALK tyrosine kinase receptor [L1196M] 1
- Serine/threonine-protein kinase PAK 2 1
- ATP-dependent translocase ABCB1 1
- Tyrosine-protein kinase SYK 1
- Testis-specific serine/threonine-protein kinase 1 1
- Tyrosine-protein kinase JAK3 1
- Serine/threonine-protein kinase/endoribonuclease IRE1 [547-977] 1
- Activated CDC42 kinase 1 1
- Rho-associated protein kinase 2 1
- Tyrosine-protein kinase ZAP-70 1
- BDNF/NT-3 growth factors receptor 1
- ...
Publications 40▿
- J Med Chem 56: 5675-90 (2014) 31
- US Patent US10618884 (2020) 16
- US Patent US9809572 (2017) 16
- Eur J Med Chem 136: 497-510 (2017) 14
- Eur J Med Chem 143: 123-136 (2018) 10
- Bioorg Med Chem 27: (2019) 6
- Bioorg Med Chem 24: 207-19 (2016) 6
- Bioorg Med Chem Lett 29: 1514-1517 (2019) 6
- Bioorg Med Chem 28: (2020) 5
- Bioorg Med Chem 37: (2021) 5
- Eur J Med Chem 171: 297-309 (2019) 5
- Eur J Med Chem 158: 322-333 (2018) 5
- Eur J Med Chem 214: (2021) 5
- J Med Chem 63: 13994-14016 (2020) 4
- Eur J Med Chem 238: (2022) 4
- Eur J Med Chem 123: 80-89 (2016) 4
- Eur J Med Chem 241: (2022) 4
- Bioorg Med Chem 66: (2022) 3
- Eur J Med Chem 134: 348-356 (2017) 3
- Bioorg Med Chem Lett 25: 3992-8 (2015) 3
- Eur J Med Chem 224: (2021) 3
- Bioorg Med Chem Lett 26: 1090-1096 (2016) 2
- US Patent US10053458 (2018) 2
- Bioorg Med Chem 47: (2021) 2
- Bioorg Med Chem Lett 27: 2185-2191 (2017) 2
- Bioorg Med Chem Lett 26: 1720-5 (2016) 2
- Bioorg Med Chem 28: (2020) 2
- J Med Chem 56: 5673-4 (2014) 2
- J Med Chem 62: 10927-10954 (2019) 1
- ACS Chem Biol 11: 2195-205 (2016) 1
- J Med Chem 62: 2618-2637 (2019) 1
- Eur J Med Chem 212: (2021) 1
- J Med Chem 62: 10005-10025 (2019) 1
- Eur J Med Chem 151: 304-314 (2018) 1
- Eur J Med Chem 126: 536-549 (2017) 1
- Eur J Med Chem 144: 386-397 (2018) 1
- Eur J Med Chem 164: 193-213 (2019) 1
- J Med Chem 58: 9296-9308 (2015) 1
- Antimicrob Agents Chemother 64: (2020) 1
- Eur J Med Chem 86: 438-48 (2014) 1
Institutions 25▿
- Shenyang Pharmaceutical University 55
- Genomics Institute Of The Novartis Research Foundation 33
- Suzhou Zelgen Biopharmaceuticals 32
- Harvard Medical School 14
- Korea Research Institute Of Chemical Technology 10
- Arromax Pharmatech 6
- Cancer Hospital Of China Medical University 5
- University Of Michigan 4
- Chongqing Medical University 3
- Taibah University 3
- Korea Research Institute of Chemical Technology 2
- University Of Michigan Comprehensive Cancer Center 2
- Chungbuk National University 2
- University of Science & Technology 2
- Dana-Farber Cancer Institute 1
- Icahn School of Medicine At Mount Sinai 1
- Boston University 1
- West China Hospital Of Sichuan University 1
- Shanghai Institute Of Materia Medica (Simm) 1
- Shanghai Institute of Materia Medica (Simm) 1
- University of Washington 1
- The Institute of Cancer Research 1
- Rheinische Friedrich-Wilhelms-University of Bonn 1
- Institut Pasteur Korea 1
- Zhejiang University 1
Affinity: 0.20 to 1.0E+6 nM▿
- Ki 4
- IC50 173
- Kd 1
- EC50 11
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1