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BDBM50339136 3-(10H-phenothiazin-10-yl)propan-1-amine::3-Phenothiazin-10-yl-propylamine::CHEMBL288110::US9504692, 3985

SMILES: NCCCN1c2ccccc2Sc2ccccc12

InChI Key: InChIKey=OJPDZEFBOMRMTK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50339136   
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
GST-MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50339136
PNG
(3-(10H-phenothiazin-10-yl)propan-1-amine | 3-Pheno...)
Show SMILES NCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
PDB
MMDB

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US Patent
n/an/a 1.58E+4n/an/an/an/an/a30



HELMHOLTZ ZENTRUM MUNCHEN, DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH)

US Patent


Assay Description
To screen for small molecular weight compounds that can inhibit MALT1 protease activity, recombinant GSTMALT1 was purified from E. coli to establish ...


US Patent US9504692 (2016)


BindingDB Entry DOI: 10.7270/Q21C1VSR
More data for this
Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs


(Saccharomyces cerevisiae S288c)
BDBM50339136
PNG
(3-(10H-phenothiazin-10-yl)propan-1-amine | 3-Pheno...)
Show SMILES NCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
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Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay


Antimicrob Agents Chemother 53: 1516-27 (2009)


Article DOI: 10.1128/AAC.00956-08
BindingDB Entry DOI: 10.7270/Q2125TNZ
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50339136
PNG
(3-(10H-phenothiazin-10-yl)propan-1-amine | 3-Pheno...)
Show SMILES NCCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.41E+6n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase


J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair