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SMILES: CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1

InChI Key: InChIKey=HCKGGEPGRAIKER-DHZHZOJOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50381691   
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))
BDBM50381691
PNG
(CHEMBL2023220)
Show SMILES CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C25H23N5O2S/c1-15-4-3-5-19(12-15)30-25(32)29-18-9-6-16(7-10-18)20-14-33-23-17(8-11-21(31)27-2)13-28-24(26)22(20)23/h3-14H,1-2H3,(H2,26,28)(H,27,31)(H2,29,30,32)/b11-8+
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 22n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50381691
PNG
(CHEMBL2023220)
Show SMILES CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C25H23N5O2S/c1-15-4-3-5-19(12-15)30-25(32)29-18-9-6-16(7-10-18)20-14-33-23-17(8-11-21(31)27-2)13-28-24(26)22(20)23/h3-14H,1-2H3,(H2,26,28)(H,27,31)(H2,29,30,32)/b11-8+
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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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))
BDBM50381691
PNG
(CHEMBL2023220)
Show SMILES CNC(=O)\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C25H23N5O2S/c1-15-4-3-5-19(12-15)30-25(32)29-18-9-6-16(7-10-18)20-14-33-23-17(8-11-21(31)27-2)13-28-24(26)22(20)23/h3-14H,1-2H3,(H2,26,28)(H,27,31)(H2,29,30,32)/b11-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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