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BDBM50142798 CHEMBL3759798

SMILES: COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCC(=O)NO

InChI Key: InChIKey=KTLDGKWOHIKCNF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50142798   
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))
BDBM50142798
PNG
(CHEMBL3759798)
Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19FN4O4/c1-27-16-10-15-14(9-17(16)28-8-2-3-18(25)24-26)19(22-11-21-15)23-13-6-4-12(20)5-7-13/h4-7,9-11,26H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 376n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incu...


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50142798
PNG
(CHEMBL3759798)
Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H19FN4O4/c1-27-16-10-15-14(9-17(16)28-8-2-3-18(25)24-26)19(22-11-21-15)23-13-6-4-12(20)5-7-13/h4-7,9-11,26H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair