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BDBM147647 US8962608, 25-9

SMILES: CC(C)(CF)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1

InChI Key: InChIKey=OOOSPZXUMNHXIJ-CUUYTVHSNA-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 = 147647   
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))
BDBM147647
PNG
(US8962608, 25-9)
Show SMILES CC(C)(CF)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1
Show InChI InChI=1/C21H26FN5O2/c1-21(2,12-22)14-3-5-15(6-4-14)25-20-17(19(24)29)11-27(26-20)18-8-7-16(28)9-13(18)10-23/h3-6,11,13,16,18,28H,7-9,12H2,1-2H3,(H2,24,29)(H,25,26)/t13-,16-,18+/s2
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/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))
BDBM147647
PNG
(US8962608, 25-9)
Show SMILES CC(C)(CF)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1
Show InChI InChI=1/C21H26FN5O2/c1-21(2,12-22)14-3-5-15(6-4-14)25-20-17(19(24)29)11-27(26-20)18-8-7-16(28)9-13(18)10-23/h3-6,11,13,16,18,28H,7-9,12H2,1-2H3,(H2,24,29)(H,25,26)/t13-,16-,18+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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