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BDBM51305 3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one::3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one::CHEMBL522946::MLS000850151::SMR000456169::cid_2810970

SMILES: FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1

InChI Key: InChIKey=OOAHQJLYDSAULT-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 = 51305   
Target
(Institution)
LigandTarget
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)
BDBM51305
PNG
(3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 1.03E+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...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM51305
PNG
(3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H
SMPDB pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli


Bioorg Med Chem Lett 18: 5320-3 (2008)

More data for this
Ligand-Target Pair