BDBM420609 US10479784, Compound IA-116::US10961232, Compound IA-116
SMILES: CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1
InChI Key: InChIKey=RAYLZZYHGLFBRJ-UHFFFAOYSA-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 |
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Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat... | J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | UniChem | US Patent | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... | US Patent US10961232 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | UniChem | US Patent | <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... | US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of human GSK3beta | J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33... | J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine-protein kinase ATM (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ... | J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | UniChem | Article PubMed | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL | Assay Description Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX phosphorylation by Hoechst staining-based immunofluorescence microscopi... | J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 | |||||||||||
More data for this Ligand-Target Pair |