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BDBM50381711 CHEMBL2022851

SMILES: CC(C)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1

InChI Key: InChIKey=IAMWPQBDRXGGEF-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381711   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50381711
PNG
(CHEMBL2022851)
Show SMILES CC(C)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C27H25FN6OS/c1-16(2)13-34-14-18(11-31-34)22-12-30-26(29)24-23(15-36-25(22)24)17-6-8-20(9-7-17)32-27(35)33-21-5-3-4-19(28)10-21/h3-12,14-16H,13H2,1-2H3,(H2,29,30)(H2,32,33,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381711
PNG
(CHEMBL2022851)
Show SMILES CC(C)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C27H25FN6OS/c1-16(2)13-34-14-18(11-31-34)22-12-30-26(29)24-23(15-36-25(22)24)17-6-8-20(9-7-17)32-27(35)33-21-5-3-4-19(28)10-21/h3-12,14-16H,13H2,1-2H3,(H2,29,30)(H2,32,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 177n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair