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BDBM50434616 CHEMBL2386801

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1

InChI Key: InChIKey=KZOKUOXISXMSOB-UHFFFAOYSA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50434616   
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))
BDBM50434616
PNG
(CHEMBL2386801)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1
Show InChI InChI=1S/C27H30N8O3/c1-18-15-25(33-38-18)30-27(37)28-17-19-3-5-20(6-4-19)23-16-24(32-31-23)29-26(36)21-7-9-22(10-8-21)35-13-11-34(2)12-14-35/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30,33,37)(H2,29,31,32,36)
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 940n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged Aurora A kinase (123 to 401) (unknown origin) transfected in insect sf9 cells after 90 mins by wallac counting a...


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50434616
PNG
(CHEMBL2386801)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)Nc2cc(C)on2)cc1
Show InChI InChI=1S/C27H30N8O3/c1-18-15-25(33-38-18)30-27(37)28-17-19-3-5-20(6-4-19)23-16-24(32-31-23)29-26(36)21-7-9-22(10-8-21)35-13-11-34(2)12-14-35/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30,33,37)(H2,29,31,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis


Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair