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BDBM50096114 CHEMBL3593283

SMILES: CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1

InChI Key: InChIKey=ADLODFKELCDENP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50096114   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50096114
PNG
(CHEMBL3593283)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H28N8OS/c1-18-28-23(16-24(29-18)34-14-12-33(2)13-15-34)32-26-27-17-22(36-26)19-8-10-21(11-9-19)31-25(35)30-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,35)(H,27,28,29,32)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50096114
PNG
(CHEMBL3593283)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H28N8OS/c1-18-28-23(16-24(29-18)34-14-12-33(2)13-15-34)32-26-27-17-22(36-26)19-8-10-21(11-9-19)31-25(35)30-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,35)(H,27,28,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096114
PNG
(CHEMBL3593283)
Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
Show InChI InChI=1S/C26H28N8OS/c1-18-28-23(16-24(29-18)34-14-12-33(2)13-15-34)32-26-27-17-22(36-26)19-8-10-21(11-9-19)31-25(35)30-20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,35)(H,27,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...


Eur J Med Chem 100: 151-61 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.008
BindingDB Entry DOI: 10.7270/Q25H7J12
More data for this
Ligand-Target Pair