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BDBM62144 (4-ethyl-1-piperazinyl)-[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]methanone::(4-ethylpiperazin-1-yl)-[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]methanone::(4-ethylpiperazino)-[4-(4-methylbenzyl)-2,3-dihydro-1,4-benzothiazin-6-yl]methanone::MLS000925100::SMR000624010::cid_6622858

SMILES: CCN1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1

InChI Key: InChIKey=HTRASMUBKMAMJJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 62144   
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
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62144
PNG
((4-ethyl-1-piperazinyl)-[4-[(4-methylphenyl)methyl...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1
Show InChI InChI=1S/C23H29N3OS/c1-3-24-10-12-25(13-11-24)23(27)20-8-9-22-21(16-20)26(14-15-28-22)17-19-6-4-18(2)5-7-19/h4-9,16H,3,10-15,17H2,1-2H3
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Similars

PCBioAssay
n/an/a 2.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair