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SMILES: CCS(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O

InChI Key: InChIKey=PWGMKXOORZCSHQ-RDTXWAMCSA-N

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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 = 141453   
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 JAK1


(Homo sapiens (Human))
BDBM141453
PNG
(US8921368, 25)
Show SMILES CCS(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C18H27N5O4S/c1-5-28(26,27)22-11-8-13-15(12(16(19)24)9-20-23(13)10-11)21-14-6-7-18(4,25)17(14,2)3/h8-10,14,21-22,25H,5-7H2,1-4H3,(H2,19,24)/t14-,18-/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 83.9n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...


US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM141453
PNG
(US8921368, 25)
Show SMILES CCS(=O)(=O)Nc1cc2c(N[C@@H]3CC[C@@](C)(O)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C18H27N5O4S/c1-5-28(26,27)22-11-8-13-15(12(16(19)24)9-20-23(13)10-11)21-14-6-7-18(4,25)17(14,2)3/h8-10,14,21-22,25H,5-7H2,1-4H3,(H2,19,24)/t14-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.10n/an/an/an/a8.025



Bristol-Myers Squibb Company

US Patent


Assay Description
Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...


US Patent US8921368 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HS7
More data for this
Ligand-Target Pair