Found 2 hits of ki for monomerid = 324513 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM324513
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)| Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A... |
US Patent US10189836 (2019)
BindingDB Entry DOI: 10.7270/Q2G162XH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM324513
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)| Show InChI InChI=1S/C30H37F3N10O2S/c31-30(32,33)20-10-19(11-20)28(45)43-22-3-4-23(43)15-40(14-22)25-2-1-5-42-27(25)36-29(37-42)35-21-12-34-41(13-21)16-26(44)39-8-6-38(7-9-39)24-17-46-18-24/h1-2,5,12-13,19-20,22-24H,3-4,6-11,14-18H2,(H,35,37)/t19-,20+,22?,23? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A... |
US Patent US10189836 (2019)
BindingDB Entry DOI: 10.7270/Q2G162XH |
More data for this Ligand-Target Pair | |