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BDBM100036 1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one::1'-acetyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one::1'-acetyl-6-[2-(4-ethylpiperazino)-2-keto-ethoxy]spiro[chroman-2,4'-piperidine]-4-one::1'-ethanoyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethoxy]spiro[3H-chromene-2,4'-piperidine]-4-one::MLS000519979::SMR000130394::cid_9551115

SMILES: CCN1CCN(CC1)C(=O)COc1ccc2OC3(CCN(CC3)C(C)=O)CC(=O)c2c1

InChI Key: InChIKey=SJYQXSKDUDDADR-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100036   
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))		BDBM100036
PNG
(1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy...)
Show SMILES CCN1CCN(CC1)C(=O)COc1ccc2OC3(CCN(CC3)C(C)=O)CC(=O)c2c1
Show InChI InChI=1S/C23H31N3O5/c1-3-24-10-12-26(13-11-24)22(29)16-30-18-4-5-21-19(14-18)20(28)15-23(31-21)6-8-25(9-7-23)17(2)27/h4-5,14H,3,6-13,15-16H2,1-2H3
PDB
MMDB

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Similars
PCBioAssay
n/an/an/an/a>2.58E+3n/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