BindingDB logo
myBDB logout

BDBM96159 MLS000730301::N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]succinamide::N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methyl-1-piperidinyl)-6-quinolinyl]butanediamide::N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide::N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidino)-6-quinolyl]succinamide::SMR000308577::cid_16188839

InChI string: InChI=1S/C27H41N5O2/c1-5-31(6-2)15-7-14-28-26(33)10-11-27(34)29-22-8-9-24-23(19-22)21(4)18-25(30-24)32-16-12-20(3)13-17-32/h8-9,18-20H,5-7,10-17H2,1-4H3,(H,28,33)(H,29,34)

SMILES: CCN(CC)CCCNC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCC(C)CC1

InChI Key: InChIKey=PSHIFYCLUQGQFV-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 = 96159   
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))
BDBM96159
PNG
(MLS000730301 | N-[3-(diethylamino)propyl]-N'-[...)
Show SMILES CCN(CC)CCCNC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCC(C)CC1
Show InChI InChI=1S/C27H41N5O2/c1-5-31(6-2)15-7-14-28-26(33)10-11-27(34)29-22-8-9-24-23(19-22)21(4)18-25(30-24)32-16-12-20(3)13-17-32/h8-9,18-20H,5-7,10-17H2,1-4H3,(H,28,33)(H,29,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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