BindingDB

null

SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1

InChI Key InChIKey=WUWDLXZGHZSWQZ-WQLSENKSSA-N

PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 4810

Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis Pharma AG

Curated by ChEMBL

BDBM4810((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)copy SMILEScopy InChI

IC50: 1.00E+4nMAssay Description:In vitro inhibition of c-Abl tyrosine kinase expressed in baculovirusMore data for this Ligand-Target Pair

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

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Details
BindingDB Entry DOI: 10.7270/Q2ZK5HDNPubMed

Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Novartis Pharma AG

Curated by ChEMBL

BDBM4810((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)copy SMILEScopy InChI

IC50: 1.10E+4nMAssay Description:Inhibition of ABL by ELISA-based kinase assayMore data for this Ligand-Target Pair

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

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Details Article
BindingDB Entry DOI: 10.7270/Q2B56KPQPubMed

Targets 26 ▿
- Vascular endothelial growth factor receptor 2 35
- Platelet-derived growth factor receptor beta 7
- Epidermal growth factor receptor 7
- Fibroblast growth factor receptor 1 4
- Vascular endothelial growth factor receptor 1 4
- Mast/stem cell growth factor receptor Kit 2
- ALK tyrosine kinase receptor 2
- Tyrosine-protein kinase ABL1 2
- Insulin-like growth factor 1 receptor 2
- Proto-oncogene tyrosine-protein kinase Src 2
- Receptor protein serine/threonine kinase 2
- Vascular endothelial growth factor receptor 3 2
- Receptor-type tyrosine-protein kinase FLT3 1
- Vasopressin V1a receptor 1
- Oxytocin receptor 1
- Macrophage-stimulating protein receptor 1
- Zinc finger protein mex-5 1
- Macrophage colony-stimulating factor 1 receptor 1
- Receptor tyrosine-protein kinase erbB-2 1
- Tubulin beta chain 1
- Platelet-derived growth factor receptor alpha 1
- Angiopoietin-1 receptor 1
- Cyclin-dependent kinase 1 1
- POsterior Segregation 1
- Proto-oncogene tyrosine-protein kinase receptor Ret 1
- Tyrosine-protein kinase ZAP-70 1
Publications 42 ▿
- J Med Chem 45: 5687-93 (2002) 19
- J Nat Prod 76: 715-9 (2013) 6
- J Med Chem 41: 2588-603 (1998) 5
- J Med Chem 43: 2655-63 (2000) 5
- J Med Chem 42: 5120-30 (1999) 4
- Bioorg Med Chem 18: 1482-96 (2010) 4
- US Patent US9422297 (2016) 3
- ACS Chem Biol 5: 245-53 (2010) 2
- Nat Chem Biol 2: 265-73 (2006) 2
- J Enzyme Inhib Med Chem 25: 158-71 (2010) 2
- ACS Med Chem Lett 5: 480-4 (2014) 1
- Bioorg Med Chem 21: 1312-23 (2013) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2010) 1
- J Med Chem 48: 5412-4 (2005) 1
- Eur J Med Chem 103: 29-43 (2015) 1
- US Patent US10189853 (2019) 1
- J Med Chem 53: 1563-78 (2010) 1
- Bioorg Med Chem 20: 4217-25 (2012) 1
- Bioorg Med Chem Lett 28: 3085-3093 (2018) 1
- Eur J Med Chem 44: 4793-800 (2009) 1
- Bioorg Med Chem 25: 545-556 (2017) 1
- J Med Chem 43: 2310-23 (2000) 1
- Bioorg Med Chem 17: 7732-42 (2009) 1
- Bioorg Med Chem Lett 17: 2126-33 (2007) 1
- Bioorg Med Chem 22: 3753-72 (2014) 1
- Bioorg Med Chem 19: 3086-95 (2011) 1
- Bioorg Med Chem 21: 1857-64 (2013) 1
- Bioorg Med Chem 20: 910-4 (2012) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2009) 1
- Bioorg Med Chem 20: 2444-54 (2012) 1
- ACS Med Chem Lett 10: 457-462 (2019) 1
- Bioorg Med Chem 18: 5261-73 (2010) 1
- Bioorg Med Chem Lett 15: 5382-5 (2005) 1
- Bioorg Med Chem 17: 7324-36 (2009) 1
- Bioorg Med Chem 23: 2408-23 (2015) 1
- J Med Chem 46: 1116-9 (2003) 1
- Bioorg Med Chem 16: 5514-28 (2008) 1
- Bioorg Med Chem 18: 3575-87 (2010) 1
- Bioorg Med Chem Lett 20: 3177-81 (2010) 1
- Bioorg Med Chem Lett 27: 1602-1607 (2017) 1
Institutions 20 ▿
- [Novartis Pharma AG] 19
- [Duquesne University] 17
- [SUGEN, Inc.] 15
- [Institute of Microbial Chemistry (BIKAKEN)] 6
- [University of Milano-Bicocca] 4
- [Duquesne University of the Holy Ghost] 3
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Dana-Farber Cancer Institute, Universit£ di Pisa, Universit� Lille Nord de France, The Scripps Research Institute Molecular Screening Center, Vanderbilt University, Broad Institute] 2
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
- [Shanghai Jiaotong University, Novartis Pharmaceuticals, The Ohio State University, Duquesne University of the Holy Spirit, LEO Pharma A/S, Institute of Radiopharmacy, GVK Biosciences Pvt. Ltd., PharmaDesign, Inc.] 1
Affinity: 8 to 3.0E+5 nM▿
- IC50 79
- EC50 6
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1