BindingDB

null

SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1

InChI Key InChIKey=PHXJVRSECIGDHY-UHFFFAOYSA-N

PDB links: 15 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50322535

Tyrosine-protein kinase ABL1(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL

BDBM50322535(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)copy SMILEScopy InChI

IC50: 0.310nMAssay Description:Inhibition of human ABL1 assessed as residual activity using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assayMore data for this Ligand-Target Pair

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

Purchase CHEMBL DrugBank MCE
MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2377D68PubMed DrugBank
MMDB
PDB

3D Structure (crystal)

Potassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL

BDBM50322535(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)copy SMILEScopy InChI

IC50: 770nMAssay Description:Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assayMore data for this Ligand-Target Pair

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

Purchase CHEMBL DrugBank MCE
MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2377D68PubMed

Cytochrome P450 3A4(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL

BDBM50322535(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)copy SMILEScopy InChI

IC50: 1.14E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes in presence of NADPH by fluorescence assayMore data for this Ligand-Target Pair

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

Purchase CHEMBL DrugBank MCE
MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2377D68PubMed DrugBank

Targets 50 ▿
- Tyrosine-protein kinase ABL1 23
- Vascular endothelial growth factor receptor 2 9
- Proto-oncogene tyrosine-protein kinase receptor Ret 8
- Proto-oncogene tyrosine-protein kinase Src 8
- Fibroblast growth factor receptor 1 8
- Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 5
- Receptor-type tyrosine-protein kinase FLT3 3
- Platelet-derived growth factor receptor alpha/beta 3
- Fibroblast growth factor receptor 4 3
- Tyrosine-protein kinase Lyn 3
- Platelet-derived growth factor receptor alpha 3
- Mast/stem cell growth factor receptor Kit 2
- Receptor-interacting serine/threonine-protein kinase 3 2
- Ephrin type-A receptor 2 [596-900] 2
- Receptor-interacting serine/threonine-protein kinase 1 2
- Receptor-interacting serine/threonine-protein kinase 2 2
- Potassium voltage-gated channel subfamily H member 2 2
- Fibroblast growth factor receptor 2 2
- Vascular endothelial growth factor receptor 1 2
- Fibroblast growth factor receptor 3 2
- Ephrin type-A receptor 1 1
- Tyrosine-protein kinase Lck 1
- Fibroblast growth factor receptor 1/2/3/4 1
- Insulin-like growth factor 1 receptor 1
- Cyclin-dependent kinase 8 1
- High affinity nerve growth factor receptor 1
- Tyrosine-protein kinase JAK1 1
- Proto-oncogene tyrosine-protein kinase Src [251-533] 1
- Tyrosine-protein kinase FRK 1
- Epidermal growth factor receptor 1
- Mitogen-activated protein kinase 14 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Tyrosine-protein kinase HCK 1
- Leukocyte tyrosine kinase receptor 1
- Glycogen synthase kinase-3 beta 1
- Cytochrome P450 3A4 1
- Putative glycogen synthase kinase 3 alpha 1
- Tyrosine-protein kinase ABL1 [229-512] 1
- Tyrosine-protein kinase ABL1 [T315I] 1
- Tyrosine-protein kinase Fyn 1
- Tyrosine-protein kinase CSK 1
- Macrophage colony-stimulating factor 1 receptor 1
- cAMP-dependent protein kinase catalytic subunit alpha 1
- Tyrosine-protein kinase JAK2 1
- Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,I2020T] 1
- Tyrosine-protein kinase Yes 1
- Platelet-derived growth factor receptor beta 1
- Epithelial discoidin domain-containing receptor 1 1
- Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] 1
- Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret 1
- ...
Publications 29 ▿
- Eur J Med Chem 126: 122-132 (2017) 12
- J Med Chem 62: 2905-2915 (2019) 4
- J Med Chem 63: 1490-1510 (2020) 4
- J Med Chem 63: 8567-8583 (2020) 4
- Eur J Med Chem 126: 476-490 (2017) 4
- ACS Med Chem Lett 11: 491-496 (2020) 3
- J Biol Chem 289: 13042-53 (2014) 2
- Bioorg Med Chem Lett 24: 5639-43 (2014) 2
- J Med Chem 58: 3672-81 (2015) 2
- ACS Chem Biol 11: 3400-3411 (2016) 2
- ACS Chem Biol 11: 1296-304 (2016) 2
- Bioorg Med Chem Lett 25: 3458-63 (2015) 2
- J Med Chem 59: 3886-905 (2016) 2
- Bioorg Med Chem 26: 5479-5493 (2018) 2
- J Med Chem 56: 5757-72 (2014) 2
- J Med Chem 53: 4701-19 (2010) 2
- Bioorg Med Chem Lett 26: 5679-5684 (2016) 2
- ACS Chem Biol 7: 1257-67 (2012) 2
- J Med Chem 56: 879-94 (2013) 1
- Bioorg Med Chem Lett 21: 3743-8 (2011) 1
- Eur J Med Chem 163: 37-53 (2019) 1
- ACS Med Chem Lett 5: 673-8 (2014) 1
- US Patent US10464902 (2019) 1
- Eur J Med Chem 135: 370-381 (2017) 1
- J Med Chem 61: 3239-3252 (2018) 1
- J Med Chem 60: 8801-8815 (2017) 1
- J Med Chem 56: 3531-45 (2013) 1
- J Med Chem 58: 3957-74 (2015) 1
- US Patent US9255107 (2016) 1
Institutions 25 ▿
- [Chinese Academy of Sciences] 13
- [Fudan University] 8
- [Jinan University, Tsinghua University, The First Affiliated Hospital of Zhengzhou University] 4
- [Jinan University, Tsinghua University, The First Affiliated Hospital of Zhengzhou University] 4
- [Jinan University, Tsinghua University, The First Affiliated Hospital of Zhengzhou University] 4
- [ARIAD Pharmaceuticals, Inc., University of Oxford] 3
- [ARIAD Pharmaceuticals, Inc., University of Oxford] 3
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF), OriBase Pharma, Harvard NeuroDiscovery Center, Stony Brook University, Technical University of Munich, Ocean University of China, Guangzhou Institutes of Biomedicine and Health, Technical University of Dortmund, Technische Universität Dortmund] 2
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
- [NANJING SANHOME PHARMACEUTICAL CO., LTD., TU Dortmund University, Shanghai Institute of Materia Medica, Korea Institute of Science and Technology (KAIST), Ontogenesis, LLC, Temple University, Sichuan University, Kafrelsheikh University, Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai, 201203, China; State Key Lab of New Drug& Pharmaceutical Process, Shanghai Key Lab of Anti-Infectives, State Ins] 1
Affinity: 0.050 to 1.2E+4 nM▿
- Ki 1
- IC50 118
- Kd 3
- EC50 2
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1