Found 9 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-4' and Ligand = 'BDBM4779' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
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Patents
Similars
| US Patent
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
XUANZHU PHARMA CO, LTD.
US Patent
| |
US Patent US10507209 (2019)
BindingDB Entry DOI: 10.7270/Q2K64MFR |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01467 BindingDB Entry DOI: 10.7270/Q24Q801K |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| US Patent
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
XUANZHU PHARMA CO., LTD.
US Patent
| |
US Patent US9730934 (2017)
BindingDB Entry DOI: 10.7270/Q21C200G |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of ErbB4 |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of HER4 (unknown origin) |
Bioorg Med Chem Lett 18: 5916-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.062 BindingDB Entry DOI: 10.7270/Q2M0457X |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse... |
J Med Chem 59: 8103-24 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA |
J Med Chem 49: 1475-85 (2006)
Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for ERBB4 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2SF2TJ3 |
More data for this Ligand-Target Pair | |