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BDBM147490 US8962608, 2-13

SMILES: NC(=O)c1cn(nc1Nc1ccccc1)C1C[C@H](O)CC[C@@H]1C#N

InChI Key: InChIKey=UGSKHTPSJYLBMM-HLDCRGFFNA-N

Data: 2 IC50

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 = 147490   
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))
BDBM147490
PNG
(US8962608, 2-13)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1C[C@H](O)CC[C@@H]1C#N
Show InChI InChI=1/C17H19N5O2/c18-9-11-6-7-13(23)8-15(11)22-10-14(16(19)24)17(21-22)20-12-4-2-1-3-5-12/h1-5,10-11,13,15,23H,6-8H2,(H2,19,24)(H,20,21)/t11-,13-,15?/s2
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 185n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147490
PNG
(US8962608, 2-13)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)C1C[C@H](O)CC[C@@H]1C#N
Show InChI InChI=1/C17H19N5O2/c18-9-11-6-7-13(23)8-15(11)22-10-14(16(19)24)17(21-22)20-12-4-2-1-3-5-12/h1-5,10-11,13,15,23H,6-8H2,(H2,19,24)(H,20,21)/t11-,13-,15?/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair