BDBM494923 (2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorobenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenoxy)-4-oxo-6,9,12-trioxa-3-azatetradecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide::US10994015, Example 14
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOc2ccc(cc2)-c2cc3c(NCc4ccccc4Cl)ncnc3[nH]2)C(C)(C)C)cc1
InChI Key:
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EGFR Delta 19/746/750 (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EGFR Delta 19/746/750 T790M (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor(L858R) (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
EGFR (L858R, T790M, C797S) (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM494923 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-((2-chlorob...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | US Patent | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent | Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A... | US Patent US10994015 (2021) | |||||||||||
More data for this Ligand-Target Pair |