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BDBM50376359 CHEMBL260092

SMILES: Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=FQYLJBVSYHZWLT-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50376359   
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 2


(Homo sapiens (Human))
BDBM50376359
PNG
(CHEMBL260092)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50376359
PNG
(CHEMBL260092)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28)
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PubMed
n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50376359
PNG
(CHEMBL260092)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50376359
PNG
(CHEMBL260092)
Show SMILES Nc1ncnc2NCCC(=Nc12)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |c:9|
Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)13-2-1-3-15(10-13)30-20(32)29-14-6-4-12(5-7-14)16-8-9-26-19-17(31-16)18(25)27-11-28-19/h1-7,10-11H,8-9H2,(H2,29,30,32)(H3,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 18: 2691-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.021
BindingDB Entry DOI: 10.7270/Q2KP831H
More data for this
Ligand-Target Pair