BDBM50335202 5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methoxy-1H-pyrazol-3-yl)pyrimidine-2,4-diamine::CHEMBL1650723
SMILES: COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1
InChI Key: InChIKey=KWKMYGPZQBMLGC-ZETCQYMHSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50335202 (5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Curated by ChEMBL | Assay Description Inhibition of JAK3 using 5 mM of ATP | J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50335202 (5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal His6-tagged human JAK2 (808 to end residues) expressed in baculovirus infected SF21 insect cells using Tyr 1054/... | Eur J Med Chem 175: 129-148 (2019) Article DOI: 10.1016/j.ejmech.2019.04.053 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50335202 (5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Curated by ChEMBL | Assay Description Inhibition of JAK2 using 5 mM of ATP | J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50335202 (5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Curated by ChEMBL | Assay Description Inhibition of JAK2 using Km ATP concentration | J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM | |||||||||||
More data for this Ligand-Target Pair |