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BDBM50100953 3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (4-bromo-phenyl)-amide::CHEMBL43183

SMILES: FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=JATJBEWEQNLJRG-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50100953   
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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50100953
PNG
(3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrFN2O2S/c17-13-2-4-14(5-3-13)20-23(21,22)16-6-1-11-7-15(9-18)19-10-12(11)8-16/h1-6,8,15,19-20H,7,9-10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
590n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (Human))
BDBM50100953
PNG
(3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrFN2O2S/c17-13-2-4-14(5-3-13)20-23(21,22)16-6-1-11-7-15(9-18)19-10-12(11)8-16/h1-6,8,15,19-20H,7,9-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair