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BDBM50381700 CHEMBL1982466

SMILES: Cc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)cc1

InChI Key: InChIKey=XKZINYYXWJEYEL-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381700   
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))
BDBM50381700
PNG
(CHEMBL1982466)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C25H22N6OS/c1-15-3-7-18(8-4-15)29-25(32)30-19-9-5-16(6-10-19)21-14-33-23-20(12-27-24(26)22(21)23)17-11-28-31(2)13-17/h3-14H,1-2H3,(H2,26,27)(H2,29,30,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
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))
BDBM50381700
PNG
(CHEMBL1982466)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C25H22N6OS/c1-15-3-7-18(8-4-15)29-25(32)30-19-9-5-16(6-10-19)21-14-33-23-20(12-27-24(26)22(21)23)17-11-28-31(2)13-17/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 50n/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