BDBM174036 US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N-methyl-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyrrole-3-carboxamide (compd 322)
SMILES: CCc1ccc(cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O)C(F)(F)F
InChI Key: InChIKey=RRWJQCOACYZGSA-UHFFFAOYSA-N
Data: 2 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 JAK2 (Homo sapiens (Human)) | BDBM174036 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L. US Patent | Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor... | US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human)) | BDBM174036 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
NERVIANO MEDICAL SCIENCES S.R.L. US Patent | Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni... | US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP | |||||||||||
More data for this Ligand-Target Pair |