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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50381706   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50381706
PNG
(CHEMBL2023230)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cnn(C)c1
Show InChI InChI=1S/C25H22N6O2S/c1-31-13-16(11-28-31)18-12-27-24(26)22-19(14-34-23(18)22)15-7-9-17(10-8-15)29-25(32)30-20-5-3-4-6-21(20)33-2/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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))
BDBM50381706
PNG
(CHEMBL2023230)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cnn(C)c1
Show InChI InChI=1S/C25H22N6O2S/c1-31-13-16(11-28-31)18-12-27-24(26)22-19(14-34-23(18)22)15-7-9-17(10-8-15)29-25(32)30-20-5-3-4-6-21(20)33-2/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/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