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BDBM324584 2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-ethyl]pyrazol-4- yl]amino]- [1,2,4]triazolo[1,5-a] pyridin-8-yl]-3,8- diazabicyclo[3.2.1]octan- 8-yl]sulfonyl]benzonitrile::US10189836, Example 147

SMILES: CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1

InChI Key: InChIKey=ZZQIVJPIECKIGI-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 324584   
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))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C29H33N11O3S/c1-35-11-13-36(14-12-35)27(41)20-38-17-22(16-31-38)32-29-33-28-25(6-4-10-39(28)34-29)37-18-23-8-9-24(19-37)40(23)44(42,43)26-7-3-2-5-21(26)15-30/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,32,34)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.300n/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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
Show InChI InChI=1S/C29H33N11O3S/c1-35-11-13-36(14-12-35)27(41)20-38-17-22(16-31-38)32-29-33-28-25(6-4-10-39(28)34-29)37-18-23-8-9-24(19-37)40(23)44(42,43)26-7-3-2-5-21(26)15-30/h2-7,10,16-17,23-24H,8-9,11-14,18-20H2,1H3,(H,32,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400n/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 US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair