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BDBM147664 US8962608, 25-28

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

InChI Key: InChIKey=HFIMQKPETJSAHQ-KFNAQCHYSA-N

Data: 2 IC50

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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 = 147664   
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))
BDBM147664
PNG
(US8962608, 25-28)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1
Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)14-5-2-12(3-6-14)21-18-15(17(20)25)10-23(22-18)16-7-4-13(24)8-11(16)9-19/h2-3,5-6,10-11,13,16,24H,4,7-8H2,1H3,(H2,20,25)(H,21,22)/t11-,13-,16+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/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))
BDBM147664
PNG
(US8962608, 25-28)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@@H](O)C[C@@H]2C#N)cc1
Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)14-5-2-12(3-6-14)21-18-15(17(20)25)10-23(22-18)16-7-4-13(24)8-11(16)9-19/h2-3,5-6,10-11,13,16,24H,4,7-8H2,1H3,(H2,20,25)(H,21,22)/t11-,13-,16+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/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