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BDBM96108 MLS000697182::N-[4-(1-esyl-5-phenyl-2-pyrazolin-3-yl)phenyl]methanesulfonamide::N-[4-(2-ethylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide::SMR000237695::cid_5019487

InChI string: InChI=1S/C18H21N3O4S2/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)13-17(19-21)14-9-11-16(12-10-14)20-26(2,22)23/h4-12,18,20H,3,13H2,1-2H3

SMILES: CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(NS(C)(=O)=O)cc1

InChI Key: InChIKey=JQOMFXLNIZTRGX-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 = 96108   
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))
BDBM96108
PNG
(MLS000697182 | N-[4-(1-esyl-5-phenyl-2-pyrazolin-3...)
Show SMILES CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C18H21N3O4S2/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)13-17(19-21)14-9-11-16(12-10-14)20-26(2,22)23/h4-12,18,20H,3,13H2,1-2H3
UniProtKB/SwissProt

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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