BindingDB logo
myBDB logout

BDBM366925 N-ethyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- trifluorobutanoyl)-3,6- dihydro-2H-pyridin-4- yl]-[1,2,4]triazolo[1,5- a]pyridin-2- yl]amino]benzamide::US9873709, Example 2-219

SMILES: CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1

InChI Key: InChIKey=LKNSDPBUPBXSDL-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 366925   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM366925
PNG
(N-ethyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tri...)
Show SMILES CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
Show InChI InChI=1S/C30H30F3N7O2/c1-2-38(20-21-10-15-34-16-11-21)28(42)23-5-7-24(8-6-23)35-29-36-27-25(4-3-17-40(27)37-29)22-12-18-39(19-13-22)26(41)9-14-30(31,32)33/h3-8,10-12,15-17H,2,9,13-14,18-20H2,1H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.280n/an/an/an/an/an/an/an/a



Duquesne University



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...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM366925
PNG
(N-ethyl-N-(4- pyridylmethyl)-4-[[8- [1-(4,4,4- tri...)
Show SMILES CCN(Cc1ccncc1)C(=O)c1ccc(Nc2nc3c(cccn3n2)C2=CCN(CC2)C(=O)CCC(F)(F)F)cc1 |t:29|
Show InChI InChI=1S/C30H30F3N7O2/c1-2-38(20-21-10-15-34-16-11-21)28(42)23-5-7-24(8-6-23)35-29-36-27-25(4-3-17-40(27)37-29)22-12-18-39(19-13-22)26(41)9-14-30(31,32)33/h3-8,10-12,15-17H,2,9,13-14,18-20H2,1H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.660n/an/an/an/an/an/an/an/a



Duquesne University



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...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2CC130F
More data for this
Ligand-Target Pair