BindingDB

null

SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

InChI Key InChIKey=LSPANGZZENHZNJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 3032

Broad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL

BDBM3032(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)copy SMILEScopy InChI

IC50: 2.32E+3nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A accumulation treated 30 mins before pheophorbide A addition measured up ...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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BindingDB Entry DOI: 10.7270/Q2TX3GT2PubMed

Broad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL

BDBM3032(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)copy SMILEScopy InChI

IC50: 1.73E+3nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to...More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase CHEMBL MCE
PC cid PC sid Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2TX3GT2PubMed

Targets 15 ▿
- Epidermal growth factor receptor 44
- Fructose-1,6-bisphosphatase 1 3
- Cyclin-G-associated kinase 2
- Ephrin type-B receptor 2 2
- Broad substrate specificity ATP-binding cassette transporter ABCG2 2
- Vascular endothelial growth factor receptor 2 2
- Receptor tyrosine-protein kinase erbB-2 2
- Cyclin-dependent kinase 2 1
- Platelet-derived growth factor receptor beta 1
- Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Protein kinase C alpha type 1
- Receptor tyrosine-protein kinase erbB-4 1
- MAP kinase-interacting serine/threonine-protein kinase 1 1
- Tyrosine-protein kinase transforming protein Abl 1
Publications 41 ▿
- Eur J Med Chem 170: 55-72 (2019) 6
- J Med Chem 40: 3601-16 (1997) 5
- J Med Chem 48: 7445-56 (2005) 4
- Bioorg Med Chem 15: 3635-48 (2007) 4
- Bioorg Med Chem Lett 11: 17-21 (2001) 3
- J Med Chem 62: 4772-4778 (2019) 2
- Proc Natl Acad Sci USA 104: 20523-8 (2007) 2
- Bioorg Med Chem Lett 7: 2935-2940 (1997) 2
- Bioorg Med Chem 21: 7858-73 (2013) 2
- J Med Chem 48: 3221-30 (2005) 2
- US Patent US9422297 (2016) 1
- Bioorg Med Chem 21: 1312-23 (2013) 1
- J Med Chem 53: 6618-28 (2010) 1
- J Med Chem 46: 49-63 (2002) 1
- Bioorg Med Chem Lett 21: 2106-12 (2011) 1
- J Med Chem 43: 133-8 (2000) 1
- J Med Chem 53: 1563-78 (2010) 1
- Bioorg Med Chem 20: 4217-25 (2012) 1
- Eur J Med Chem 150: 491-505 (2018) 1
- Eur J Med Chem 102: 115-31 (2015) 1
- Eur J Med Chem 150: 446-456 (2018) 1
- J Med Chem 43: 3244-56 (2000) 1
- Eur J Med Chem 43: 781-91 (2008) 1
- Bioorg Med Chem 21: 1857-64 (2013) 1
- Bioorg Med Chem 20: 910-4 (2012) 1
- J Med Chem 54: 2529-91 (2011) 1
- US Patent US11001595 (2021) 1
- Bioorg Med Chem 20: 2444-54 (2012) 1
- Bioorg Med Chem 24: 2871-2881 (2016) 1
- Eur J Med Chem 44: 448-52 (2008) 1
- Bioorg Med Chem 18: 5261-73 (2010) 1
- J Med Chem 39: 267-76 (1996) 1
- J Med Chem 39: 2285-92 (1996) 1
- Bioorg Med Chem 17: 7324-36 (2009) 1
- J Med Chem 39: 1823-35 (1996) 1
- J Med Chem 49: 6642-5 (2006) 1
- Bioorg Med Chem 16: 5514-28 (2008) 1
- Bioorg Med Chem 18: 3575-87 (2010) 1
- Bioorg Med Chem 4: 1203-7 (1996) 1
- Bioorg Med Chem Lett 20: 3177-81 (2010) 1
- Bioorg Med Chem 27: 568-577 (2019) 1
Institutions 30 ▿
- [Duquesne University] 11
- [Arromax Pharmatech Co. Ltd.] 6
- [Novartis Pharmaceuticals, Wyeth Research] 5
- [Novartis Pharmaceuticals, Wyeth Research] 5
- [Lawrence Berkeley National Laboratory] 4
- [Pfizer Central Research] 3
- [TBA, Protana Inc., University of Bonn, University of Oxford, University of North Carolina at Chapel Hill] 2
- [TBA, Protana Inc., University of Bonn, University of Oxford, University of North Carolina at Chapel Hill] 2
- [TBA, Protana Inc., University of Bonn, University of Oxford, University of North Carolina at Chapel Hill] 2
- [TBA, Protana Inc., University of Bonn, University of Oxford, University of North Carolina at Chapel Hill] 2
- [TBA, Protana Inc., University of Bonn, University of Oxford, University of North Carolina at Chapel Hill] 2
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
- [Hebrew University of Jerusalem, Beijing University of Technology, Duquesne University of the Holy Ghost, Glaxo Wellcome Inc., CIBA Pharmaceuticals, Bristol-Myers Squibb Pharmaceutical Research and Development, Duquesne University of The Holy Spirit, Parke-Davis Pharmaceutical Research, Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France., Universit£ di Pisa, Wyeth-Ayerst Research, University of Auckland, Jazan University, Spanish National Cancer Research Centre (CNIO), Universit£ di Napoli "Federico II", Korea Institute of Science and Technology, University of South China, University of Bologna, Zhejiang University] 1
Affinity: 0.0060 to 2.5E+5 nM▿
- Ki 1
- IC50 62
- Kd 2
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1