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BDBM96172 3-(5-methyl-2-furanyl)-2,5-diphenyl-3,4-dihydropyrazole::3-(5-methylfuran-2-yl)-2,5-diphenyl-3,4-dihydropyrazole::5-(5-methyl-2-furyl)-1,3-diphenyl-2-pyrazoline::5-(5-methyl-2-furyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole::MLS000702375::SMR000225051::cid_560996

InChI string: InChI=1S/C20H18N2O/c1-15-12-13-20(23-15)19-14-18(16-8-4-2-5-9-16)21-22(19)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3

SMILES: Cc1ccc(o1)C1CC(=NN1c1ccccc1)c1ccccc1

InChI Key: InChIKey=IIGVCNRPSBBZCF-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 = 96172   
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
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96172
PNG
(3-(5-methyl-2-furanyl)-2,5-diphenyl-3,4-dihydropyr...)
Show SMILES Cc1ccc(o1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-15-12-13-20(23-15)19-14-18(16-8-4-2-5-9-16)21-22(19)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a>370n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair