Found 2 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM463587' 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 |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM463587
(US10781204, Compound I-67 | US11434240, Compound I...)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r,wU:3.2,wD:6.9,(-5.32,-3.79,;-6.09,-2.45,;-7.63,-2.45,;-5.32,-1.12,;-6.09,.21,;-5.32,1.55,;-3.78,1.55,;-3.01,.21,;-3.78,-1.12,;-3.01,2.88,;-1.48,3.04,;-.71,4.38,;.8,4.06,;.96,2.52,;-.45,1.9,;2.29,1.75,;2.29,.21,;3.63,-.56,;4.96,.21,;4.96,1.75,;6.11,2.79,;5.48,4.19,;3.95,4.03,;2.92,5.18,;3.63,2.52,;3.63,-2.1,;2.29,-2.87,;.96,-2.1,;2.29,-4.41,;3.63,-5.18,;4.96,-4.41,;5.01,-2.84,;6.34,-2.07,;7.68,-1.3,)| Show InChI InChI=1S/C25H26FN7O/c1-32(2)17-8-6-16(7-9-17)29-22-10-11-33(31-22)21-12-19(30-20-14-28-25(34)24(20)21)23-15(13-27)4-3-5-18(23)26/h3-5,10-12,16-17H,6-9,14H2,1-2H3,(H,28,34)(H,29,31)/t16-,17- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Peptide substrate, [KKSRGDYMTMQIG], (20 μM) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QV3QRF |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM463587
(US10781204, Compound I-67 | US11434240, Compound I...)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ccn(n1)-c1cc(nc2CNC(=O)c12)-c1c(F)cccc1C#N |r,wU:3.2,wD:6.9,(-5.32,-3.79,;-6.09,-2.45,;-7.63,-2.45,;-5.32,-1.12,;-6.09,.21,;-5.32,1.55,;-3.78,1.55,;-3.01,.21,;-3.78,-1.12,;-3.01,2.88,;-1.48,3.04,;-.71,4.38,;.8,4.06,;.96,2.52,;-.45,1.9,;2.29,1.75,;2.29,.21,;3.63,-.56,;4.96,.21,;4.96,1.75,;6.11,2.79,;5.48,4.19,;3.95,4.03,;2.92,5.18,;3.63,2.52,;3.63,-2.1,;2.29,-2.87,;.96,-2.1,;2.29,-4.41,;3.63,-5.18,;4.96,-4.41,;5.01,-2.84,;6.34,-2.07,;7.68,-1.3,)| Show InChI InChI=1S/C25H26FN7O/c1-32(2)17-8-6-16(7-9-17)29-22-10-11-33(31-22)21-12-19(30-20-14-28-25(34)24(20)21)23-15(13-27)4-3-5-18(23)26/h3-5,10-12,16-17H,6-9,14H2,1-2H3,(H,28,34)(H,29,31)/t16-,17- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nimbus Lakshmi, Inc.
US Patent
| Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech... |
US Patent US10781204 (2020)
BindingDB Entry DOI: 10.7270/Q21G0Q9G |
More data for this Ligand-Target Pair | |