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SMILES: CCS(=O)(=O)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3

InChI Key: InChIKey=KFBWYQJUHSEIDI-SNAWJCMRSA-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 3 hits for monomerid = 50363226   
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))
BDBM50363226
PNG
(CHEMBL1945567)
Show SMILES CCS(=O)(=O)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:28|
Show InChI InChI=1S/C27H32N4O4S/c1-3-36(32,33)17-16-35-26-11-10-23-18-22(26)20-31(2)14-5-4-6-15-34-24-9-7-8-21(19-24)25-12-13-28-27(29-23)30-25/h4-5,7-13,18-19H,3,6,14-17,20H2,1-2H3,(H,28,29,30)/b5-4+
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n/an/a 110n/an/an/an/an/an/a



S BIO Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay


J Med Chem 55: 169-96 (2012)

Checked by Author
Article DOI: 10.1021/jm201112g
BindingDB Entry DOI: 10.7270/Q2M61KPN
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50363226
PNG
(CHEMBL1945567)
Show SMILES CCS(=O)(=O)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:28|
Show InChI InChI=1S/C27H32N4O4S/c1-3-36(32,33)17-16-35-26-11-10-23-18-22(26)20-31(2)14-5-4-6-15-34-24-9-7-8-21(19-24)25-12-13-28-27(29-23)30-25/h4-5,7-13,18-19H,3,6,14-17,20H2,1-2H3,(H,28,29,30)/b5-4+
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Article
PubMed
n/an/a 93n/an/an/an/an/an/a



S BIO Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay


J Med Chem 55: 169-96 (2012)

Checked by Author
Article DOI: 10.1021/jm201112g
BindingDB Entry DOI: 10.7270/Q2M61KPN
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50363226
PNG
(CHEMBL1945567)
Show SMILES CCS(=O)(=O)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:28|
Show InChI InChI=1S/C27H32N4O4S/c1-3-36(32,33)17-16-35-26-11-10-23-18-22(26)20-31(2)14-5-4-6-15-34-24-9-7-8-21(19-24)25-12-13-28-27(29-23)30-25/h4-5,7-13,18-19H,3,6,14-17,20H2,1-2H3,(H,28,29,30)/b5-4+
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



S BIO Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay


J Med Chem 55: 169-96 (2012)

Checked by Author
Article DOI: 10.1021/jm201112g
BindingDB Entry DOI: 10.7270/Q2M61KPN
More data for this
Ligand-Target Pair