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BDBM366438 N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-(6-oxo- 3,4,7,8,9,9a- hexahydro-1H- pyrazino[1,2- c]pyrimidin-2-yl)- [1,2,4]triazolo[1,5- a]pyridin-2- yl]amino]benzamide::US9873709, Example 1-31

SMILES: CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3C(CCNC3=O)C2)cc1

InChI Key: InChIKey=VHAGODWVGCOXPE-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 = 366438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM366438
PNG
(N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-(6-oxo- ...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3C(CCNC3=O)C2)cc1
Show InChI InChI=1S/C27H35N9O2/c1-32-14-10-21(11-15-32)33(2)25(37)19-5-7-20(8-6-19)29-26-30-24-23(4-3-13-36(24)31-26)34-16-17-35-22(18-34)9-12-28-27(35)38/h3-8,13,21-22H,9-12,14-18H2,1-2H3,(H,28,38)(H,29,31)
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
52.4n/an/an/an/an/an/an/an/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 US9873709 (2018)


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


(Homo sapiens (Human))
BDBM366438
PNG
(N-methyl-N-(1- methyl-4-piperidyl)-4- [[8-(6-oxo- ...)
Show SMILES CN(C1CCN(C)CC1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCN3C(CCNC3=O)C2)cc1
Show InChI InChI=1S/C27H35N9O2/c1-32-14-10-21(11-15-32)33(2)25(37)19-5-7-20(8-6-19)29-26-30-24-23(4-3-13-36(24)31-26)34-16-17-35-22(18-34)9-12-28-27(35)38/h3-8,13,21-22H,9-12,14-18H2,1-2H3,(H,28,38)(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
453n/an/an/an/an/an/an/an/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 US9873709 (2018)


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