BDBM264231 (2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin- 4-yl}-1H-indol-7- yl)-2-(4-methylpiperazin-1- yl)butanamide::US10167276, Example 51::US10654835, Example 51::US9714236, 51
SMILES: CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F
InChI Key:
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
JAK1 (aa 866-1154) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | 7.3 | n/a |
ASTRAZENECA AB US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 831-1132) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | 7.3 | n/a |
ASTRAZENECA AB US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 781-1124) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | 7.3 | n/a |
ASTRAZENECA AB US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK1 (aa 866-1154) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 781-1124) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | 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 |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid... | US Patent US10654835 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 811-1124) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | 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 |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (aa 866-1154) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid... | US Patent US10654835 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 831-1132) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid... | US Patent US10654835 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 808-1132) (Homo sapiens (Human)) | BDBM264231 ((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dizal (Jiangsu) Pharmaceutical Co., Ltd. US Patent | Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... | US Patent US10167276 (2019) BindingDB Entry DOI: 10.7270/Q20R9RG0 | |||||||||||
More data for this Ligand-Target Pair |