BDBM488779 (R)-N-(3-(5-fluoro-2- (2-fluoro-3- (methylsulfonyl)phenyl amino)pyrimidin-4-yl)- 1H-indol-7-yl)-3- methoxy-2-(4- methylpiperazin-1- yl)propanamide::US10961228, Example 35
SMILES: COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F
InChI Key:
Data: 3 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)) | BDBM488779![]() ((R)-N-(3-(5-fluoro-2- (2-fluoro-3- (methylsulfonyl...) | 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 |
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 US10961228 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK3 (aa 781-1124) (Homo sapiens (Human)) | BDBM488779![]() ((R)-N-(3-(5-fluoro-2- (2-fluoro-3- (methylsulfonyl...) | 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 |
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 US10961228 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
JAK2 (aa 831-1132) (Homo sapiens (Human)) | BDBM488779![]() ((R)-N-(3-(5-fluoro-2- (2-fluoro-3- (methylsulfonyl...) | PDB GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | 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 US10961228 (2021) | |||||||||||
More data for this Ligand-Target Pair |