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BDBM141479 US8921368, 266

SMILES: CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O

InChI Key: InChIKey=OUMHYFKEKIQRPP-NLFFAJNJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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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 = 141479   
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))
BDBM141479
PNG
(US8921368, 266)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C25H32N6O2/c1-24(2)20(10-11-25(24,3)27)29-21-18(22(26)32)13-28-31-14-17(12-19(21)31)15-6-8-16(9-7-15)23(33)30(4)5/h6-9,12-14,20,29H,10-11,27H2,1-5H3,(H2,26,32)/t20-,25+/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/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))
BDBM141479
PNG
(US8921368, 266)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
Show InChI InChI=1S/C25H32N6O2/c1-24(2)20(10-11-25(24,3)27)29-21-18(22(26)32)13-28-31-14-17(12-19(21)31)15-6-8-16(9-7-15)23(33)30(4)5/h6-9,12-14,20,29H,10-11,27H2,1-5H3,(H2,26,32)/t20-,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 0.800n/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