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BDBM147824 US8962608, 28-145

SMILES: CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC3(CCC3)C2)cc1

InChI Key: InChIKey=IWHBOPXJJHQMMK-DUUNOXSYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 147824   
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))
BDBM147824
PNG
(US8962608, 28-145)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC3(CCC3)C2)cc1
Show InChI InChI=1/C24H30N6O3S/c1-34(32,33)19-6-3-17(4-7-19)27-23-20(22(26)31)13-30(28-23)21-8-5-18(11-16(21)12-25)29-14-24(15-29)9-2-10-24/h3-4,6-7,13,16,18,21H,2,5,8-11,14-15H2,1H3,(H2,26,31)(H,27,28)/t16-,18-,21+/s2
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/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))
BDBM147824
PNG
(US8962608, 28-145)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CC3(CCC3)C2)cc1
Show InChI InChI=1/C24H30N6O3S/c1-34(32,33)19-6-3-17(4-7-19)27-23-20(22(26)31)13-30(28-23)21-8-5-18(11-16(21)12-25)29-14-24(15-29)9-2-10-24/h3-4,6-7,13,16,18,21H,2,5,8-11,14-15H2,1H3,(H2,26,31)(H,27,28)/t16-,18-,21+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.25n/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