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BDBM100013 6-(4-morpholinyl)-3-[3-(1-piperidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one::6-morpholin-4-yl-3-(3-piperidin-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one::6-morpholin-4-yl-3-(3-piperidin-1-ylpropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::6-morpholino-3-(3-piperidinopropyl)-2-thioxo-1H-quinazolin-4-one::MLS000095423::SMR000030977::cid_3237415

SMILES: O=c1n(CCCN2CCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1

InChI Key: InChIKey=VOASJRIZBLAKMB-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100013   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM100013
PNG
(6-(4-morpholinyl)-3-[3-(1-piperidinyl)propyl]-2-su...)
Show SMILES O=c1n(CCCN2CCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
Show InChI InChI=1S/C20H28N4O2S/c25-19-17-15-16(23-11-13-26-14-12-23)5-6-18(17)21-20(27)24(19)10-4-9-22-7-2-1-3-8-22/h5-6,15H,1-4,7-14H2,(H,21,27)
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 2.97E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair