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BDBM50349021 CHEMBL1807788

SMILES: Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1

InChI Key: InChIKey=WHZMCJZHYNRDAM-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349021   
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50349021
PNG
(CHEMBL1807788)
Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Show InChI InChI=1S/C26H30N8O3S/c1-19-28-24(27-10-11-34-12-14-37-15-13-34)18-25(29-19)30-26-17-23(31-32-26)20-6-5-7-21(16-20)33-38(35,36)22-8-3-2-4-9-22/h2-9,16-18,33H,10-15H2,1H3,(H3,27,28,29,30,31,32)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR1 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50349021
PNG
(CHEMBL1807788)
Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Show InChI InChI=1S/C26H30N8O3S/c1-19-28-24(27-10-11-34-12-14-37-15-13-34)18-25(29-19)30-26-17-23(31-32-26)20-6-5-7-21(16-20)33-38(35,36)22-8-3-2-4-9-22/h2-9,16-18,33H,10-15H2,1H3,(H3,27,28,29,30,31,32)
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349021
PNG
(CHEMBL1807788)
Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Show InChI InChI=1S/C26H30N8O3S/c1-19-28-24(27-10-11-34-12-14-37-15-13-34)18-25(29-19)30-26-17-23(31-32-26)20-6-5-7-21(16-20)33-38(35,36)22-8-3-2-4-9-22/h2-9,16-18,33H,10-15H2,1H3,(H3,27,28,29,30,31,32)
PDB
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NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50349021
PNG
(CHEMBL1807788)
Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
Show InChI InChI=1S/C26H30N8O3S/c1-19-28-24(27-10-11-34-12-14-37-15-13-34)18-25(29-19)30-26-17-23(31-32-26)20-6-5-7-21(16-20)33-38(35,36)22-8-3-2-4-9-22/h2-9,16-18,33H,10-15H2,1H3,(H3,27,28,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair