BindingDB logo
myBDB logout

BDBM51081 (5E)-1-(4-fluorophenyl)-5-[[1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione::(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylene]-1-(4-fluorophenyl)barbituric acid::(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione::5-[1-(1-Benzyl-1,2,3,4-tetrahydro-quinolin-6-yl)-meth-(E)-ylidene]-1-(4-fluoro-phenyl)-pyrimidine-2,4,6-trione::MLS000331011::SMR000221044::cid_1997460

SMILES: Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O

InChI Key: InChIKey=GRNGOLQUXHXXII-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 51081   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51081
PNG
((5E)-1-(4-fluorophenyl)-5-[[1-(phenylmethyl)-3,4-d...)
Show SMILES Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
Show InChI InChI=1S/C27H22FN3O3/c28-21-9-11-22(12-10-21)31-26(33)23(25(32)29-27(31)34)16-19-8-13-24-20(15-19)7-4-14-30(24)17-18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14,17H2,(H,29,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair