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BDBM14209 4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}phenyl)-1,4-thiomorpholine-1,1-dione::pyrrolopyrimidine 32

SMILES: O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1

InChI Key: InChIKey=IADBDKSADXUIBX-UHFFFAOYSA-N

Data: 2 IC50

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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 = 14209   
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of poly(Glu:Tyr) by purified recombinant human FLT3. The extent of phospho...


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM14209
PNG
(4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....


Bioorg Med Chem Lett 16: 5778-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.080
BindingDB Entry DOI: 10.7270/Q2D21VVZ
More data for this
Ligand-Target Pair