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BDBM50389980 CHEMBL2071208

SMILES: Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NCCO)n2)C(F)(F)F)cn1

InChI Key: InChIKey=CAMXHQIJVZTBFW-FDRIWYBQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50389980   
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))
BDBM50389980
PNG
(CHEMBL2071208)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NCCO)n2)C(F)(F)F)cn1 |r,c:15|
Show InChI InChI=1S/C19H22F3N7O2/c1-29-9-12(7-25-29)26-18-24-8-13(19(20,21)22)16(28-18)27-15-11-3-2-10(6-11)14(15)17(31)23-4-5-30/h2-3,7-11,14-15,30H,4-6H2,1H3,(H,23,31)(H2,24,26,27,28)/t10-,11+,14+,15-/m1/s1
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KEGG
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 266n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50389980
PNG
(CHEMBL2071208)
Show SMILES Cn1cc(Nc2ncc(c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(=O)NCCO)n2)C(F)(F)F)cn1 |r,c:15|
Show InChI InChI=1S/C19H22F3N7O2/c1-29-9-12(7-25-29)26-18-24-8-13(19(20,21)22)16(28-18)27-15-11-3-2-10(6-11)14(15)17(31)23-4-5-30/h2-3,7-11,14-15,30H,4-6H2,1H3,(H,23,31)(H2,24,26,27,28)/t10-,11+,14+,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.067
BindingDB Entry DOI: 10.7270/Q20C4WTF
More data for this
Ligand-Target Pair