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SMILES: CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=JUBMOVBFVJPSAO-UHFFFAOYSA-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 5 hits for monomerid = 50237553   
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))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
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Article
PubMed
n/an/a 1.87E+4n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
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PubMed
n/an/a 1.73E+4n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O3/c1-21(2,3)30-20(29)23-11-18(28)26-15-7-8-17-16(10-15)19(25-12-24-17)27-14-6-4-5-13(22)9-14/h4-10,12H,11H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) measured after 40 mins by Kinase Glo luminescence assay


Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
BindingDB Entry DOI: 10.7270/Q21Z46PJ
More data for this
Ligand-Target Pair