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BDBM94747 MLS001030872::N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxamide::N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide::N-[2-[butyl(methyl)amino]ethyl]-6-(4-methylpiperidino)sulfonyl-2-(3-pyridyl)cinchoninamide::N-[2-[butyl(methyl)amino]ethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxamide::SMR000635050::cid_16034332

SMILES: CCCCN(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1

InChI Key: InChIKey=RWCCZVDIOJXGOE-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94747   
Target/Host
(Institution)
LigandTarget/Host
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
LARGE


(Homo sapiens (Human))
BDBM94747
PNG
(MLS001030872 | N-[2-[butyl(methyl)amino]ethyl]-6-(...)
Show SMILES CCCCN(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1
Show InChI InChI=1S/C28H37N5O3S/c1-4-5-14-32(3)17-13-30-28(34)25-19-27(22-7-6-12-29-20-22)31-26-9-8-23(18-24(25)26)37(35,36)33-15-10-21(2)11-16-33/h6-9,12,18-21H,4-5,10-11,13-17H2,1-3H3,(H,30,34)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair