BDBM374727 (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrahydro-1,15-ethenopyrazolo[4,3- f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)- one::US10246466, Example 93::US10618912, Example 93
SMILES: C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23
InChI Key: InChIKey=FIKPXCOQUIZNHB-WDEREUQCSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | n/a | 0.0820 | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio... | J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio... | J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | n/a | 0.0820 | n/a | n/a | n/a | n/a | n/a |
Turning Point Therapeutics, Inc. US Patent | Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio... | US Patent US10618912 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a |
Turning Point Therapeutics, Inc. US Patent | Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio... | US Patent US10618912 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
High affinity nerve growth factor receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas for Medical Sciences Curated by ChEMBL | Assay Description Inhibition of TRKA G595R mutant (unknown origin) | J Med Chem 62: 1731-1760 (2019) Article DOI: 10.1021/acs.jmedchem.8b01092 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of ALK G1202R (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of SRC (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of SRC phosphorylation (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of ALK L1196M (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EML4-ALK (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of EML4/ALK phosphorylation (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University Curated by ChEMBL | Assay Description Inhibition of ALK (unknown origin) | J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human)) | BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas for Medical Sciences Curated by ChEMBL | Assay Description Inhibition of ROS1 G2032R mutant (unknown origin) | J Med Chem 62: 1731-1760 (2019) Article DOI: 10.1021/acs.jmedchem.8b01092 | |||||||||||
More data for this Ligand-Target Pair |