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BDBM324428 2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1]octan- 3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2- yl]amino]pyrazol-1-yl]- 1-(4-methylpiperazin-1- yl)ethanone::US10189836, Example 1

SMILES: CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1

InChI Key: InChIKey=SRWDWSUACVQFBO-FOURXJPJSA-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 = 324428   
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 JAK1


(Homo sapiens (Human))
BDBM324428
PNG
(2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1 |r|
Show InChI InChI=1S/C30H37N9O2/c1-35-12-14-36(15-13-35)27(40)20-38-19-25(16-31-38)32-30-33-29-26(8-5-11-39(29)34-30)37-17-23-9-10-24(18-37)28(23)41-21-22-6-3-2-4-7-22/h2-8,11,16,19,23-24,28H,9-10,12-15,17-18,20-21H2,1H3,(H,32,34)/t23-,24+,28+
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.200n/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 JAK2


(Homo sapiens (Human))
BDBM324428
PNG
(2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1 |r|
Show InChI InChI=1S/C30H37N9O2/c1-35-12-14-36(15-13-35)27(40)20-38-19-25(16-31-38)32-30-33-29-26(8-5-11-39(29)34-30)37-17-23-9-10-24(18-37)28(23)41-21-22-6-3-2-4-7-22/h2-8,11,16,19,23-24,28H,9-10,12-15,17-18,20-21H2,1H3,(H,32,34)/t23-,24+,28+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.600n/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