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BDBM96202 2,3-bis(4-fluorophenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-6-quinoxalinecarboxamide::2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-6-carboxamide::2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazino)ethyl]quinoxaline-6-carboxamide::MLS001028538::SMR000634098::cid_22588034

InChI string: InChI=1S/C28H27F2N5O/c1-34-14-16-35(17-15-34)13-12-31-28(36)21-6-11-24-25(18-21)33-27(20-4-9-23(30)10-5-20)26(32-24)19-2-7-22(29)8-3-19/h2-11,18H,12-17H2,1H3,(H,31,36)

SMILES: CN1CCN(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)c(nc3c2)-c2ccc(F)cc2)CC1

InChI Key: InChIKey=KOMRTHWJNSSNLB-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 = 96202   
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))
BDBM96202
PNG
(2,3-bis(4-fluorophenyl)-N-[2-(4-methyl-1-piperazin...)
Show SMILES CN1CCN(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)c(nc3c2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C28H27F2N5O/c1-34-14-16-35(17-15-34)13-12-31-28(36)21-6-11-24-25(18-21)33-27(20-4-9-23(30)10-5-20)26(32-24)19-2-7-22(29)8-3-19/h2-11,18H,12-17H2,1H3,(H,31,36)
UniProtKB/SwissProt

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PC sid
UniChem

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AffyNet 
PCBioAssay
n/an/a>1.11E+3n/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