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BDBM153138 US8993756, 1-32

SMILES: CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(N)c3)c12

InChI Key: InChIKey=AROYAHIHIHHAQG-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 153138   
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))
BDBM153138
PNG
(US8993756, 1-32)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(N)c3)c12
Show InChI InChI=1S/C16H16N4O3/c1-2-23-16(22)11-6-18-15-13(11)14(19-8-20-15)9-3-4-10(7-21)12(17)5-9/h3-6,8,21H,2,7,17H2,1H3,(H,18,19,20)
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PC cid
PC sid
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Similars

US Patent
n/an/a 215n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153138
PNG
(US8993756, 1-32)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(N)c3)c12
Show InChI InChI=1S/C16H16N4O3/c1-2-23-16(22)11-6-18-15-13(11)14(19-8-20-15)9-3-4-10(7-21)12(17)5-9/h3-6,8,21H,2,7,17H2,1H3,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.30n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair