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BDBM50349016 CHEMBL1807484

SMILES: CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1

InChI Key: InChIKey=ZEFQETLZQIQBNG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349016   
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))
BDBM50349016
PNG
(CHEMBL1807484)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-18-6-4-9-22(14-18)37(35,36)32-21-8-5-7-20(15-21)23-16-25(31-30-23)29-24-17-26(28-19(2)27-24)34-12-10-33(3)11-13-34/h4-9,14-17,32H,10-13H2,1-3H3,(H2,27,28,29,30,31)
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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))
BDBM50349016
PNG
(CHEMBL1807484)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-18-6-4-9-22(14-18)37(35,36)32-21-8-5-7-20(15-21)23-16-25(31-30-23)29-24-17-26(28-19(2)27-24)34-12-10-33(3)11-13-34/h4-9,14-17,32H,10-13H2,1-3H3,(H2,27,28,29,30,31)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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))
BDBM50349016
PNG
(CHEMBL1807484)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-18-6-4-9-22(14-18)37(35,36)32-21-8-5-7-20(15-21)23-16-25(31-30-23)29-24-17-26(28-19(2)27-24)34-12-10-33(3)11-13-34/h4-9,14-17,32H,10-13H2,1-3H3,(H2,27,28,29,30,31)
PDB
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NCI pathway
Reactome pathway
KEGG

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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 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))
BDBM50349016
PNG
(CHEMBL1807484)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)nc(C)n1
Show InChI InChI=1S/C26H30N8O2S/c1-18-6-4-9-22(14-18)37(35,36)32-21-8-5-7-20(15-21)23-16-25(31-30-23)29-24-17-26(28-19(2)27-24)34-12-10-33(3)11-13-34/h4-9,14-17,32H,10-13H2,1-3H3,(H2,27,28,29,30,31)
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