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BDBM96138 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester::4-[[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester::MLS000091909::SMR000026433::cid_3239341::ethyl 4-[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonylamino]piperidine-1-carboxylate::ethyl 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate::ethyl 4-{[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonyl]amino}piperidine-1-carboxylate

InChI string: InChI=1S/C21H23N3O5/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-12-14-10-13-11-16(27-2)4-5-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)

SMILES: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2cc3cc(OC)ccc3nc2o1

InChI Key: InChIKey=AIUSZXKSILRDIB-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 96138   
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))
BDBM96138
PNG
(4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1cc2cc3cc(OC)ccc3nc2o1
Show InChI InChI=1S/C21H23N3O5/c1-3-28-21(26)24-8-6-15(7-9-24)22-19(25)18-12-14-10-13-11-16(27-2)4-5-17(13)23-20(14)29-18/h4-5,10-12,15H,3,6-9H2,1-2H3,(H,22,25)
UniProtKB/SwissProt

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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