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SMILES: COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO

InChI Key: InChIKey=AAFHYERZITZNLX-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 2 hits for monomerid = 50132346   
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
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50132346
PNG
(CHEMBL3633762)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17BrN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 531n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against C-C chemokine receptor type 3


Bioorg Med Chem Lett 25: 5137-41 (2015)


BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50132346
PNG
(CHEMBL3633762)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H17BrN4O4/c1-26-15-9-14-13(8-16(15)27-6-5-17(24)23-25)18(21-10-20-14)22-12-4-2-3-11(19)7-12/h2-4,7-10,25H,5-6H2,1H3,(H,23,24)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 625n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair