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BDBM80702 3-(4-Fluoro-phenyl)-10-methyl-2-propyl-3H,10H-pyrimido[4,5-b]quinoline-4,5-dione::3-(4-fluorophenyl)-10-methyl-2-propyl-pyrimido[4,5-b]quinoline-4,5-dione::3-(4-fluorophenyl)-10-methyl-2-propyl-pyrimido[4,5-b]quinoline-4,5-quinone::3-(4-fluorophenyl)-10-methyl-2-propylpyrimido[4,5-b]quinoline-4,5-dione::MLS000331153::SMR000221200::cid_1943301

SMILES: CCCc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1

InChI Key: InChIKey=BMUKBCWPIBJJKR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 80702   
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
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80702
PNG
(3-(4-Fluoro-phenyl)-10-methyl-2-propyl-3H,10H-pyri...)
Show SMILES CCCc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O2/c1-3-6-17-23-20-18(19(26)15-7-4-5-8-16(15)24(20)2)21(27)25(17)14-11-9-13(22)10-12-14/h4-5,7-12H,3,6H2,1-2H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23F4N3R
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80702
PNG
(3-(4-Fluoro-phenyl)-10-methyl-2-propyl-3H,10H-pyri...)
Show SMILES CCCc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O2/c1-3-6-17-23-20-18(19(26)15-7-4-5-8-16(15)24(20)2)21(27)25(17)14-11-9-13(22)10-12-14/h4-5,7-12H,3,6H2,1-2H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2W094D4
More data for this
Ligand-Target Pair