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SMILES: CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=POYJJGBBXYWWNI-OAQYLSRUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50237550   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237550
PNG
(CHEMBL4091010)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C25H30BrN5O3/c1-15(2)11-21(31-24(33)34-25(3,4)5)23(32)30-18-9-10-20-19(13-18)22(28-14-27-20)29-17-8-6-7-16(26)12-17/h6-10,12-15,21H,11H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 145n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50237550
PNG
(CHEMBL4091010)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
Show InChI InChI=1S/C25H30BrN5O3/c1-15(2)11-21(31-24(33)34-25(3,4)5)23(32)30-18-9-10-20-19(13-18)22(28-14-27-20)29-17-8-6-7-16(26)12-17/h6-10,12-15,21H,11H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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